Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
C4H6 |
1-Methylcyclopropene |
rCH |
1.085 |
4.215 |
3.130 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
3.429 |
2.342 |
C2H4O3 |
trioxolane124 |
rCN |
1.303 |
2.261 |
0.957 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
3.110 |
0.955 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.226 |
0.883 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.226 |
0.883 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.226 |
0.883 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.226 |
0.883 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.895 |
0.800 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.895 |
0.800 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.891 |
0.796 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.476 |
2.270 |
0.794 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
1.822 |
0.735 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.775 |
0.677 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.759 |
0.661 |
CH3SO2NH2 |
methanesulfonamide |
rCN |
1.207 |
1.787 |
0.580 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.701 |
0.546 |
C4H4N2 |
Succinonitrile |
rCC |
1.561 |
1.095 |
-0.466 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.070 |
1.522 |
0.452 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.019 |
-0.441 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.019 |
-0.441 |
C4H10O |
Methyl propyl ether |
rCC |
1.530 |
1.095 |
-0.435 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.520 |
0.431 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.520 |
0.431 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.519 |
0.430 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.520 |
0.428 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.520 |
0.428 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.519 |
0.427 |
C4H4N2 |
Succinonitrile |
rCH |
1.123 |
1.548 |
0.425 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.515 |
1.091 |
-0.424 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.511 |
0.418 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.511 |
0.418 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
3.115 |
0.413 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.499 |
0.406 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.499 |
0.406 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.301 |
0.403 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.522 |
0.367 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.895 |
0.367 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.895 |
0.367 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.891 |
0.363 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.492 |
0.362 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.489 |
0.359 |
Ar2+ |
Argon diatomic cation |
rArAr |
2.320 |
2.676 |
0.356 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.273 |
0.356 |
ONNO |
NO dimer |
rNN |
2.236 |
1.880 |
-0.356 |
C3H3NO |
Isoxazole |
rCH |
1.075 |
1.426 |
0.351 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.040 |
2.388 |
0.348 |
C4H4N2 |
Succinonitrile |
rCH |
1.111 |
1.456 |
0.345 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.110 |
-0.340 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.110 |
-0.340 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.110 |
-0.340 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.110 |
-0.340 |
C4H10O |
Methyl propyl ether |
rCH |
1.099 |
1.436 |
0.337 |
Ar2 |
Argon diatomic |
rArAr |
3.758 |
4.088 |
0.330 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.519 |
-0.301 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.520 |
-0.300 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.520 |
-0.300 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
2.117 |
0.295 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
2.117 |
0.295 |
CaS |
Calcium sulfide |
rSCa |
2.318 |
2.609 |
0.291 |
HClO4 |
perchloric acid |
rOCl |
1.641 |
1.921 |
0.280 |
HClO4 |
perchloric acid |
rOCl |
1.404 |
1.684 |
0.280 |
ClFO3 |
Perchloryl fluoride |
rClO |
1.400 |
1.669 |
0.269 |
ClFO3 |
Perchloryl fluoride |
rFCl |
1.598 |
1.867 |
0.269 |
C2H2+ |
acetylene cation |
rCH |
1.077 |
1.344 |
0.267 |
FOO |
Dioxygen monofluoride radical |
rFO |
1.649 |
1.913 |
0.264 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.138 |
-0.262 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.138 |
-0.262 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.138 |
-0.262 |
HClO4 |
perchloric acid |
rOCl |
1.414 |
1.674 |
0.260 |
Ne2 |
Neon diatomic |
rNeNe |
3.100 |
2.841 |
-0.259 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.855 |
0.258 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.855 |
0.258 |
CaCl |
calcium monochloride |
rClCa |
2.437 |
2.677 |
0.240 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.707 |
0.237 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.707 |
0.237 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.707 |
0.237 |
SF5Cl |
sulfur chloropentafluoride |
rSCl |
2.030 |
2.264 |
0.234 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.901 |
0.233 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
3.659 |
-0.231 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
3.659 |
-0.231 |
ClOF3 |
Chlorine trifluoride oxide |
rOCl |
1.405 |
1.635 |
0.230 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.603 |
1.830 |
0.227 |
FSSF |
Difluorodisulfane |
rSS |
1.890 |
2.113 |
0.223 |
SOCl2 |
thionyl chloride |
rSCl |
2.076 |
2.299 |
0.223 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.300 |
1.520 |
0.220 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.003 |
-0.213 |
CaBr |
Calcium monobromide |
rCaBr |
2.594 |
2.804 |
0.210 |
ClS2 |
Sulfur chloride |
rSCl |
2.071 |
2.276 |
0.205 |
SO2Cl2 |
Sulfuryl chloride |
rSCl |
2.076 |
2.281 |
0.205 |
Cl2+ |
chlorine diatomic cation |
rClCl |
1.892 |
2.096 |
0.205 |
Cl2+ |
chlorine diatomic cation |
rClCl |
1.892 |
2.096 |
0.205 |
SO2F2 |
Sulfuryl fluoride |
rFS |
1.530 |
1.734 |
0.204 |
C2H6O2S |
Dimethyl sulfone |
rSO |
1.431 |
1.634 |
0.203 |
C2H6O2S |
Dimethyl sulfone |
rSO |
1.431 |
1.634 |
0.203 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.472 |
-0.196 |
H2SO4 |
Sulfuric acid |
rSO |
1.574 |
1.770 |
0.196 |
SFCl |
Sulfur chloride fluoride |
rSCl |
1.994 |
2.190 |
0.196 |
ClSSCl |
Disulfur dichloride |
rSS |
1.931 |
2.124 |
0.193 |
Cu2 |
Copper diatomic |
rCuCu |
2.220 |
2.028 |
-0.192 |
SOF4 |
Sulfur tetrafluoride oxide |
rFS |
1.539 |
1.731 |
0.192 |
Cl2 |
Chlorine diatomic |
rClCl |
1.988 |
2.177 |
0.190 |
Cl2 |
Chlorine diatomic |
rClCl |
1.988 |
2.177 |
0.190 |
CH3SSH |
Hydrogen methyl disulfide |
rSS |
2.038 |
2.227 |
0.189 |
CH3SOCH3 |
Dimethyl sulfoxide |
rSO |
1.485 |
1.674 |
0.189 |
SCl |
sulfur monochloride |
rSCl |
1.975 |
2.163 |
0.188 |
SCl |
sulfur monochloride |
rSCl |
1.975 |
2.163 |
0.188 |
SCl |
sulfur monochloride |
rSCl |
1.975 |
2.163 |
0.188 |
Cl3PO |
Phosphoryl chloride |
rPCl |
1.989 |
2.175 |
0.186 |
OPCl |
Phosphorus oxychloride |
rPCl |
2.059 |
2.244 |
0.186 |
SCl2 |
Sulfur dichloride |
rSCl |
2.013 |
2.198 |
0.186 |
SCl2 |
Sulfur dichloride |
rSCl |
2.013 |
2.198 |
0.186 |
SO3 |
Sulfur trioxide |
rSO |
1.418 |
1.603 |
0.185 |
SO3 |
Sulfur trioxide |
rSO |
1.418 |
1.603 |
0.185 |
ClSSCl |
Disulfur dichloride |
rSCl |
2.057 |
2.242 |
0.185 |
CH3SSCH3 |
Disulfide, dimethyl |
rSS |
2.038 |
2.220 |
0.182 |
PCl5 |
Phosphorus pentachloride |
rPCl |
2.124 |
2.305 |
0.181 |
ClOOCl |
Dichlorine dioxide |
rOCl |
1.704 |
1.882 |
0.178 |
SSO |
Disulfur monoxide |
rSS |
1.884 |
2.062 |
0.177 |
SSO |
Disulfur monoxide |
rSS |
1.884 |
2.061 |
0.177 |
PCl5 |
Phosphorus pentachloride |
rPCl |
2.020 |
2.197 |
0.177 |
H2SO4 |
Sulfuric acid |
rSO |
1.422 |
1.598 |
0.176 |
H2S2 |
Disulfane |
rSS |
2.056 |
2.233 |
0.176 |
H2S2 |
Disulfane |
rSS |
2.056 |
2.233 |
0.176 |
SO2F2 |
Sulfuryl fluoride |
rOS |
1.405 |
1.580 |
0.175 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.545 |
1.720 |
0.175 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.545 |
1.720 |
0.175 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.770 |
0.174 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.770 |
0.174 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.226 |
0.173 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.226 |
0.173 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.226 |
0.173 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.226 |
0.173 |
CaC |
Calcium monocarbide |
rCCa |
2.302 |
2.474 |
0.173 |
PCl |
phosphorus chloride |
rPCl |
2.018 |
2.190 |
0.173 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.226 |
0.172 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.226 |
0.172 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.226 |
0.172 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.226 |
0.172 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.281 |
0.171 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.281 |
0.171 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.281 |
0.171 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.281 |
0.171 |
F2SO |
Thionyl Fluoride |
rFS |
1.585 |
1.755 |
0.170 |
BrCl |
Bromine monochloride |
rClBr |
2.136 |
2.306 |
0.170 |
BrCl |
Bromine monochloride |
rClBr |
2.136 |
2.306 |
0.170 |
PCl3 |
Phosphorus trichloride |
rPCl |
2.043 |
2.212 |
0.169 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.281 |
-0.169 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.281 |
-0.169 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.281 |
-0.169 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.281 |
-0.169 |
FSN |
Thiazyl fluoride |
rFS |
1.643 |
1.812 |
0.169 |
SOF4 |
Sulfur tetrafluoride oxide |
rSO |
1.409 |
1.577 |
0.168 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.778 |
0.168 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.778 |
0.168 |
SO2 |
Sulfur dioxide |
rSO |
1.432 |
1.599 |
0.167 |
SO2 |
Sulfur dioxide |
rSO |
1.432 |
1.599 |
0.167 |
SSO |
Disulfur monoxide |
rSO |
1.456 |
1.621 |
0.165 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.082 |
0.165 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.082 |
0.165 |
SSO |
Disulfur monoxide |
rSO |
1.456 |
1.621 |
0.164 |
CaH |
Calcium monohydride |
rCaH |
2.003 |
2.166 |
0.163 |
CaH |
Calcium monohydride |
rCaH |
2.003 |
2.166 |
0.163 |
S8 |
Octasulfur |
rSS |
2.059 |
2.222 |
0.163 |
ClF5 |
chlorinepentafluoride |
rFCl |
1.650 |
1.810 |
0.160 |
SF6 |
Sulfur Hexafluoride |
rSF |
1.561 |
1.720 |
0.159 |
SF6 |
Sulfur Hexafluoride |
rSF |
1.561 |
1.720 |
0.159 |
HSiCl |
Chlorosilylene |
rSiCl |
2.067 |
2.226 |
0.159 |
BrF5 |
bromine pentafluoride |
rFBr |
1.689 |
1.848 |
0.159 |
P4 |
Phosphorus tetramer |
rPP |
2.210 |
2.369 |
0.159 |
SiCl |
Clorosilylidyne |
rSiCl |
2.061 |
2.220 |
0.159 |
SiCl |
Clorosilylidyne |
rSiCl |
2.061 |
2.220 |
0.158 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.855 |
0.158 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.855 |
0.158 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.713 |
1.871 |
0.158 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.511 |
-0.157 |
Br2 |
Bromine diatomic |
rBrBr |
2.281 |
2.438 |
0.157 |
Br2 |
Bromine diatomic |
rBrBr |
2.281 |
2.438 |
0.157 |
SF5Cl |
sulfur chloropentafluoride |
rFS |
1.576 |
1.733 |
0.157 |
S2N2 |
Disulfur dinitride |
rNS |
1.642 |
1.798 |
0.157 |
CH3OCl |
methyl hypochlorite |
rOCl |
1.674 |
1.829 |
0.155 |
PCl |
phosphorus chloride |
rPCl |
2.018 |
2.172 |
0.155 |
ClS2 |
Sulfur chloride |
rSS |
1.906 |
2.060 |
0.154 |
F2SO |
Thionyl Fluoride |
rOS |
1.413 |
1.567 |
0.154 |
S2 |
Sulfur diatomic |
rSS |
1.889 |
2.042 |
0.153 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.849 |
0.152 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.849 |
0.152 |
SO2Cl2 |
Sulfuryl chloride |
rSO |
1.443 |
1.595 |
0.152 |
SOF4 |
Sulfur tetrafluoride oxide |
rFS |
1.596 |
1.747 |
0.151 |
ClO |
Monochlorine monoxide |
rClO |
1.596 |
1.747 |
0.151 |
ClO |
Monochlorine monoxide |
rClO |
1.596 |
1.747 |
0.151 |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
rCF |
1.359 |
1.509 |
0.150 |
ClO |
Monochlorine monoxide |
rClO |
1.596 |
1.746 |
0.150 |
S2 |
Sulfur diatomic |
rSS |
1.889 |
2.039 |
0.150 |
S2 |
Sulfur diatomic |
rSS |
1.889 |
2.039 |
0.150 |
CFCl |
chlorofluoromethylene |
rCCl |
1.714 |
1.863 |
0.149 |
PF+ |
phosphorus monofluoride cation |
rFP |
1.500 |
1.647 |
0.147 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.043 |
0.145 |
AlCl |
Aluminum monochloride |
rAlCl |
2.130 |
2.275 |
0.145 |
NBr |
nitrogen monobromide |
rNBr |
1.765 |
1.910 |
0.145 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.625 |
0.144 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.625 |
0.144 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.625 |
0.144 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.625 |
0.144 |
SOCl2 |
thionyl chloride |
rSO |
1.443 |
1.587 |
0.144 |
SeCl2 |
Selenium Dichloride |
rClSe |
2.157 |
2.300 |
0.143 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.624 |
0.143 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.624 |
0.143 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.624 |
0.143 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.624 |
0.143 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.624 |
0.143 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.624 |
0.143 |
KrF2 |
Krypton difluoride |
rFKr |
1.875 |
2.017 |
0.142 |
SiCl2 |
Dichlorosilylene |
rSiCl |
2.076 |
2.218 |
0.142 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.040 |
0.142 |
SF2 |
sulfur difluoride |
rSF |
1.587 |
1.729 |
0.141 |
F3PO |
Phosphoryl fluoride |
rFP |
1.524 |
1.664 |
0.140 |
HOSH |
hydrogen thioperoxide |
rSO |
1.662 |
1.801 |
0.140 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.110 |
-0.140 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.110 |
-0.140 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.110 |
-0.140 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.110 |
-0.140 |
CaF |
Calcium monofluoride |
rFCa |
1.967 |
2.105 |
0.138 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
1.854 |
0.137 |
CCl |
carbon monochloride |
rCCl |
1.649 |
1.786 |
0.137 |
CCl |
carbon monochloride |
rCCl |
1.649 |
1.786 |
0.137 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
1.852 |
0.135 |
Si2 |
Silicon diatomic |
rSiSi |
2.246 |
2.112 |
-0.134 |
LiK |
Lithium Potassium |
rLiK |
3.270 |
3.404 |
0.134 |
PF3 |
Phosphorus trifluoride |
rFP |
1.561 |
1.695 |
0.134 |
PO2 |
Phosphorus dioxide |
rPO |
1.467 |
1.600 |
0.133 |
PO- |
phosphorus monoxide anion |
rOP |
1.540 |
1.673 |
0.133 |
SiH3Cl |
chlorosilane |
rSiCl |
2.051 |
2.183 |
0.133 |
SiH3Cl |
chlorosilane |
rSiCl |
2.051 |
2.183 |
0.133 |
PF5 |
Phosphorus pentafluoride |
rPF |
1.534 |
1.666 |
0.132 |
PF5 |
Phosphorus pentafluoride |
rPF |
1.534 |
1.666 |
0.132 |
CaBr2 |
Calcium dibromide |
rCaBr |
2.616 |
2.748 |
0.132 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.742 |
0.131 |
S2+ |
sulfur diatomic cation |
rSS |
1.825 |
1.956 |
0.131 |
SiCl3CH3 |
methyltrichlorosilane |
rSiCl |
2.026 |
2.157 |
0.131 |
SFCl |
Sulfur chloride fluoride |
rFS |
1.606 |
1.737 |
0.131 |
SiH2Cl2 |
dichlorosilane |
rSiCl |
2.033 |
2.164 |
0.131 |
SiH2Cl2 |
dichlorosilane |
rSiCl |
2.033 |
2.164 |
0.131 |
SiHCl3 |
Trichlorosilane |
rSiCl |
2.020 |
2.150 |
0.130 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.110 |
-0.130 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.110 |
-0.130 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.110 |
-0.130 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.110 |
-0.130 |
PF2 |
Phosphorus difluoride |
rPF |
1.579 |
1.708 |
0.129 |
NCl3 |
nitrogen trichloride |
rNCl |
1.754 |
1.882 |
0.129 |
NCl3 |
nitrogen trichloride |
rNCl |
1.754 |
1.882 |
0.129 |
SF |
Monosulfur monofluoride |
rSF |
1.599 |
1.728 |
0.129 |
SF |
Monosulfur monofluoride |
rSF |
1.599 |
1.728 |
0.129 |
He2+ |
helium diatomic cation |
rHeHe |
1.081 |
1.208 |
0.128 |
He2+ |
helium diatomic cation |
rHeHe |
1.081 |
1.208 |
0.128 |
SiBr |
Silicon monobromide |
rSiBr |
2.209 |
2.337 |
0.128 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.646 |
1.773 |
0.127 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.646 |
1.773 |
0.127 |
PF |
phosphorus monofluoride |
rFP |
1.593 |
1.719 |
0.127 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.224 |
0.127 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.224 |
0.127 |
FSSF |
Difluorodisulfane |
rFS |
1.635 |
1.761 |
0.126 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.625 |
0.125 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.625 |
0.125 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.625 |
0.125 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.625 |
0.125 |
Cl2O |
Dichlorine monoxide |
rClO |
1.696 |
1.821 |
0.125 |
ClF |
Chlorine monofluoride |
rFCl |
1.628 |
1.753 |
0.124 |
ClF |
Chlorine monofluoride |
rFCl |
1.628 |
1.753 |
0.124 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.624 |
0.124 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.624 |
0.124 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.624 |
0.124 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.624 |
0.124 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.624 |
0.124 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.624 |
0.124 |
CCl2 |
dichloromethylene |
rCCl |
1.711 |
1.835 |
0.124 |
CH3CHClCH2CH3 |
Butane, 2-chloro- |
rCCl |
1.781 |
1.905 |
0.124 |
HCCl |
Chloromethylene |
rCCl |
1.696 |
1.819 |
0.123 |
CH3CCl(CH3)CH3 |
Propane, 2-chloro-2-methyl- |
rCCl |
1.803 |
1.926 |
0.123 |
SiCl4 |
Silane, tetrachloro- |
rSiCl |
2.019 |
2.141 |
0.122 |
PBr3 |
Phosphorus tribromide |
rPBr |
2.220 |
2.343 |
0.122 |
SO+ |
sulfur monoxide cation |
rOS |
1.424 |
1.546 |
0.122 |
SO+ |
sulfur monoxide cation |
rOS |
1.424 |
1.546 |
0.122 |
PF |
phosphorus monofluoride |
rFP |
1.593 |
1.715 |
0.122 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.138 |
-0.122 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.138 |
-0.122 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.138 |
-0.122 |
BrF3 |
Bromine trifluoride |
rFBr |
1.721 |
1.843 |
0.122 |
SiF+ |
silicon monofluoride cation |
rFSi |
1.527 |
1.648 |
0.121 |
SiF+ |
silicon monofluoride cation |
rFSi |
1.527 |
1.648 |
0.121 |
HOCl |
hypochlorous acid |
rClO |
1.697 |
1.818 |
0.120 |
HOCl |
hypochlorous acid |
rClO |
1.697 |
1.817 |
0.119 |
Cl3PO |
Phosphoryl chloride |
rPO |
1.455 |
1.574 |
0.119 |
SiBr+ |
Silicon monobromide cation |
rSiBr |
2.095 |
2.213 |
0.117 |
PS |
phosphorus sulfide |
rPS |
1.900 |
2.015 |
0.115 |
PS |
phosphorus sulfide |
rPS |
1.900 |
2.015 |
0.115 |
F3PO |
Phosphoryl fluoride |
rPO |
1.436 |
1.551 |
0.115 |
SiF3 |
Silicon trifluoride radical |
rFSi |
1.565 |
1.679 |
0.114 |
AsCl3 |
Arsenous trichloride |
rClAs |
2.166 |
2.279 |
0.114 |
P2H4 |
Diphosphine |
rPP |
2.219 |
2.333 |
0.114 |
NaO |
sodium monoxide |
rONa |
2.052 |
1.939 |
-0.112 |
NaO |
sodium monoxide |
rONa |
2.052 |
1.939 |
-0.112 |
GeCl |
Germanium monochloride |
rClGe |
2.164 |
2.276 |
0.112 |
ClNO2 |
Nitryl chloride |
rNCl |
1.840 |
1.952 |
0.112 |
GeCl |
Germanium monochloride |
rClGe |
2.164 |
2.275 |
0.111 |
C3H5Cl3 |
Propane, 1,2,3-trichloro- |
rCCl |
1.790 |
1.900 |
0.110 |
CaOH |
Calcium monohydroxide |
rOCa |
1.976 |
2.086 |
0.110 |
PO |
Phosphorus monoxide |
rPO |
1.476 |
1.586 |
0.110 |
PO |
Phosphorus monoxide |
rPO |
1.476 |
1.586 |
0.110 |
PO |
Phosphorus monoxide |
rPO |
1.476 |
1.586 |
0.110 |
SiF |
silicon monofluoride |
rSiF |
1.604 |
1.714 |
0.109 |
SiF |
silicon monofluoride |
rSiF |
1.604 |
1.714 |
0.109 |
As4 |
Arsenic tetramer |
rAsAs |
2.435 |
2.544 |
0.109 |
CH2ClCCCl |
1,3-dichloropropyne |
rCCl |
1.779 |
1.888 |
0.109 |
SiF2 |
Silicon difluoride |
rFSi |
1.590 |
1.698 |
0.108 |
SiF2 |
Silicon difluoride |
rFSi |
1.590 |
1.698 |
0.108 |
HSiBr |
monobromosilylene |
rSiBr |
2.237 |
2.344 |
0.107 |
K2 |
Potassium diatomic |
rKK |
3.905 |
4.012 |
0.107 |
PF5 |
Phosphorus pentafluoride |
rFP |
1.577 |
1.684 |
0.107 |
PF5 |
Phosphorus pentafluoride |
rFP |
1.577 |
1.684 |
0.107 |
SiH2F2 |
difluorosilane |
rSiF |
1.576 |
1.682 |
0.107 |
SiH3F |
monofluorosilane |
rSiF |
1.595 |
1.701 |
0.106 |
SiH3F |
monofluorosilane |
rSiF |
1.595 |
1.701 |
0.106 |
BrO+ |
Bromine monoxide cation |
rOBr |
1.635 |
1.741 |
0.106 |
NHCl2 |
dichloroamine |
rNCl |
1.760 |
1.866 |
0.106 |
CO |
Carbon monoxide |
rCO |
1.128 |
1.233 |
0.105 |
OPCl |
Phosphorus oxychloride |
rPO |
1.462 |
1.567 |
0.105 |
Si2 |
Silicon diatomic |
rSiSi |
2.246 |
2.351 |
0.105 |
CH3CHClCH3 |
Propane, 2-chloro- |
rCCl |
1.798 |
1.902 |
0.104 |
CH3CHClCH3 |
Propane, 2-chloro- |
rCCl |
1.798 |
1.902 |
0.104 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
rCCl |
1.813 |
1.917 |
0.104 |
SeS |
Selenium monosulfide |
rSSe |
2.037 |
2.140 |
0.104 |
AlBr |
Aluminum monobromide |
rAlBr |
2.295 |
2.398 |
0.103 |
BrF5 |
bromine pentafluoride |
rFBr |
1.774 |
1.877 |
0.103 |
CBr |
Carbon monobromide |
rCBr |
1.821 |
1.924 |
0.103 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.298 |
-0.102 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.298 |
-0.102 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.298 |
-0.102 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.298 |
-0.102 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.298 |
-0.102 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.298 |
-0.102 |
AlCl3 |
Aluminum trichloride |
rAlCl |
2.060 |
2.161 |
0.101 |
SiHF3 |
trifluorosilane |
rSiF |
1.563 |
1.664 |
0.101 |
MgCl |
magnesium monochloride |
rMgCl |
2.199 |
2.299 |
0.100 |
NS |
Mononitrogen monosulfide |
rNS |
1.497 |
1.597 |
0.100 |
CH2ClCHCHCH3 |
2-Butene, 1-chloro- |
rCCl |
1.807 |
1.905 |
0.098 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.114 |
-0.098 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.114 |
-0.098 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.114 |
-0.098 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.114 |
-0.098 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.114 |
-0.098 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.114 |
-0.098 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.114 |
-0.098 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.114 |
-0.098 |
CH2ClCH2CH2CH3 |
Butane, 1-chloro- |
rCCl |
1.780 |
1.877 |
0.097 |
FSN |
Thiazyl fluoride |
rNS |
1.448 |
1.544 |
0.096 |
P2+ |
phosphorus diatomic cation |
rPP |
1.986 |
2.082 |
0.096 |
SeF4 |
Selenium tetrafluoride |
rFSe |
1.682 |
1.778 |
0.096 |
BrF3 |
Bromine trifluoride |
rFBr |
1.810 |
1.906 |
0.096 |
Li2 |
Lithium diatomic |
rLiLi |
2.673 |
2.768 |
0.095 |
Li2 |
Lithium diatomic |
rLiLi |
2.673 |
2.768 |
0.095 |
SiS |
silicon monosulfide |
rSiS |
1.929 |
2.024 |
0.094 |
SiS |
silicon monosulfide |
rSiS |
1.929 |
2.024 |
0.094 |
Se2 |
Selenium diatomic |
rSeSe |
2.166 |
2.260 |
0.094 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.308 |
0.093 |
SiF4 |
Silicon tetrafluoride |
rSiF |
1.554 |
1.647 |
0.093 |
NS |
Mononitrogen monosulfide |
rNS |
1.497 |
1.588 |
0.091 |
C2H4S |
Thiirane |
rCS |
1.815 |
1.905 |
0.090 |
C2H4S |
Thiirane |
rCS |
1.815 |
1.905 |
0.090 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.791 |
0.090 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.791 |
0.090 |
C2H6O2S |
Dimethyl sulfone |
rCS |
1.777 |
1.867 |
0.090 |
C2H6O2S |
Dimethyl sulfone |
rCS |
1.777 |
1.867 |
0.090 |
CH3CH2Cl |
Ethyl chloride |
rCCl |
1.789 |
1.879 |
0.090 |
CH3CHCl2 |
Ethane, 1,1-dichloro- |
rCCl |
1.766 |
1.856 |
0.090 |
HOBr |
Hypobromous acid |
rBrO |
1.834 |
1.923 |
0.089 |
HOBr |
Hypobromous acid |
rBrO |
1.834 |
1.923 |
0.089 |
Se2 |
Selenium diatomic |
rSeSe |
2.166 |
2.255 |
0.089 |
Se2 |
Selenium diatomic |
rSeSe |
2.166 |
2.255 |
0.089 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.549 |
0.089 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.127 |
-0.089 |
Se2 |
Selenium diatomic |
rSeSe |
2.166 |
2.255 |
0.089 |
HPO |
Hydrogen phosphorus oxide |
rPO |
1.512 |
1.600 |
0.088 |
BrF |
Bromine monofluoride |
rFBr |
1.759 |
1.847 |
0.088 |
BrF |
Bromine monofluoride |
rFBr |
1.759 |
1.847 |
0.088 |
GaCl |
Gallium monochloride |
rClGa |
2.202 |
2.289 |
0.088 |
CH3COCl |
Acetyl Chloride |
rCCl |
1.798 |
1.885 |
0.087 |
SiH3Br |
bromosilane |
rSiBr |
2.210 |
2.297 |
0.087 |
BCl |
boron monochloride |
rBCl |
1.719 |
1.807 |
0.087 |
SiP |
Silicon monophosphide |
rSiP |
2.078 |
2.164 |
0.087 |
C2Cl2 |
dichloroacetylene |
rCCl |
1.612 |
1.699 |
0.087 |
GaCl |
Gallium monochloride |
rClGa |
2.202 |
2.288 |
0.087 |
AlS |
Aluminum sulfide |
rAlS |
2.029 |
2.115 |
0.086 |
AlS |
Aluminum sulfide |
rAlS |
2.029 |
2.115 |
0.086 |
GeCl2 |
Germanium dichloride |
rClGe |
2.186 |
2.272 |
0.086 |
C6H5Cl |
chlorobenzene |
rCCl |
1.725 |
1.811 |
0.086 |
SiC2 |
Silicon dicarbide |
rCSi |
1.836 |
1.922 |
0.086 |
CH2CHCH2CH2Cl |
1-Butene, 4-chloro- |
rCCl |
1.794 |
1.880 |
0.086 |
CBrClF2 |
Methane, bromochlorodifluoro- |
rCCl |
1.736 |
1.821 |
0.085 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.881 |
0.085 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.881 |
0.085 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.881 |
0.085 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.881 |
0.085 |
CH2FCl |
fluorochloromethane |
rCCl |
1.762 |
1.847 |
0.085 |
CHF2Cl |
difluorochloromethane |
rCCl |
1.747 |
1.832 |
0.085 |
AlN |
Aluminum nitride |
rNAl |
1.786 |
1.871 |
0.084 |
AlN |
Aluminum nitride |
rNAl |
1.786 |
1.871 |
0.084 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.752 |
0.084 |
CHFClBr |
fluorochlorobromomethane |
rCCl |
1.745 |
1.829 |
0.084 |
CHFClBr |
fluorochlorobromomethane |
rCCl |
1.745 |
1.829 |
0.084 |
CH3SOCH3 |
Dimethyl sulfoxide |
rCS |
1.799 |
1.882 |
0.083 |
C2 |
Carbon diatomic |
rCC |
1.243 |
1.325 |
0.083 |
C2 |
Carbon diatomic |
rCC |
1.243 |
1.325 |
0.083 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.138 |
-0.082 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.138 |
-0.082 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.138 |
-0.082 |
CH2CClCHCH2 |
1,3-Butadiene, 2-chloro- |
rCCl |
1.742 |
1.824 |
0.082 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
rCCl |
1.793 |
1.875 |
0.082 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
rCCl |
1.767 |
1.848 |
0.081 |
CH2ClCHCl2 |
1,1,2-trichloroethane |
rCCl |
1.776 |
1.857 |
0.081 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
rCCl |
1.790 |
1.871 |
0.081 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
rCCl |
1.790 |
1.871 |
0.081 |
CH2BrCl |
Methane, bromochloro- |
rCCl |
1.755 |
1.835 |
0.080 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.876 |
0.080 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.876 |
0.080 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.876 |
0.080 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.876 |
0.080 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.771 |
0.080 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.771 |
0.080 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.771 |
0.080 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.771 |
0.080 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.771 |
0.080 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.771 |
0.080 |
C2H2ClF |
1-chloro-1-fluoroethylene |
rCCl |
1.704 |
1.784 |
0.079 |
CH3SCH2CH3 |
Ethane, (methylthio)- |
rCS |
1.804 |
1.883 |
0.079 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.240 |
2.161 |
-0.079 |
CH3CCl2CH3 |
Propane, 2,2-dichloro- |
rCCl |
1.799 |
1.878 |
0.079 |
CH3CCl2CH3 |
Propane, 2,2-dichloro- |
rCCl |
1.799 |
1.878 |
0.079 |
LiCl |
lithium chloride |
rLiCl |
2.021 |
2.099 |
0.079 |
LiCl |
lithium chloride |
rLiCl |
2.021 |
2.099 |
0.079 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
1.718 |
0.078 |
KH |
Potassium hydride |
rKH |
2.243 |
2.321 |
0.078 |
SiO |
Silicon monoxide |
rSiO |
1.510 |
1.588 |
0.078 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
rCCl |
1.710 |
1.788 |
0.078 |
SiO |
Silicon monoxide |
rSiO |
1.510 |
1.588 |
0.078 |
C4H6S |
Thiophene, 2,5-dihydro- |
rCS |
1.816 |
1.894 |
0.078 |
C3H5Cl |
1-chloro-1-propene(E) |
rCCl |
1.728 |
1.806 |
0.078 |
SeO2 |
Selenium dioxide |
rSeO |
1.607 |
1.685 |
0.078 |
SeO2 |
Selenium dioxide |
rSeO |
1.607 |
1.685 |
0.078 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
1.717 |
0.078 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
1.717 |
0.078 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.298 |
0.078 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.298 |
0.078 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.298 |
0.078 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.298 |
0.078 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.298 |
0.078 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.298 |
0.078 |
C2H3Cl |
Ethene, chloro- |
rCCl |
1.726 |
1.803 |
0.077 |
CH2ClCHCl2 |
1,1,2-trichloroethane |
rCC |
1.580 |
1.504 |
-0.076 |
CH2SHCH2SH |
1,2-Ethanedithiol |
rCS |
1.819 |
1.895 |
0.076 |
P2 |
Phosphorus diatomic |
rPP |
1.893 |
1.969 |
0.076 |
P2 |
Phosphorus diatomic |
rPP |
1.893 |
1.969 |
0.076 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
rCCl |
1.718 |
1.794 |
0.076 |
C6H4Cl2 |
1,4-dichlorobenzene |
rCCl |
1.729 |
1.805 |
0.076 |
C3H5ClO |
Oxirane, (chloromethyl)- |
rCCl |
1.798 |
1.873 |
0.075 |
CH2ClCHO |
chloroacetaldehyde |
rCCl |
1.782 |
1.857 |
0.075 |
AlO |
Aluminum monoxide |
rAlO |
1.618 |
1.693 |
0.075 |
AlO |
Aluminum monoxide |
rAlO |
1.618 |
1.693 |
0.075 |
CF2Cl2 |
difluorodichloromethane |
rCCl |
1.744 |
1.819 |
0.075 |
CF2Cl2 |
difluorodichloromethane |
rCCl |
1.744 |
1.819 |
0.075 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.895 |
0.075 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.895 |
0.075 |
C5H6S |
Thiophene, 3-methyl- |
rCS |
1.714 |
1.788 |
0.074 |
LiS |
Lithium monosulfide |
rLiS |
2.150 |
2.224 |
0.074 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.779 |
0.074 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.779 |
0.074 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.779 |
0.074 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.779 |
0.074 |
AsF5 |
Arsenic pentafluoride |
rAsF |
1.656 |
1.730 |
0.074 |
C3H5Cl |
1-chloro-1-propene(Z) |
rCCl |
1.735 |
1.809 |
0.074 |
C3H7SH |
1-Propanethiol |
rCS |
1.820 |
1.893 |
0.073 |
AlC |
Aluminum carbide |
rCAl |
1.955 |
2.028 |
0.073 |
C4H4S |
Thiophene |
rCS |
1.714 |
1.787 |
0.073 |
AlF |
Aluminum monofluoride |
rAlF |
1.654 |
1.727 |
0.072 |
BeCl2 |
Beryllium chloride |
rBeCl |
1.750 |
1.822 |
0.072 |
AlF |
Aluminum monofluoride |
rAlF |
1.654 |
1.726 |
0.072 |
C5H10S |
2H-Thiopyran, tetrahydro- |
rCS |
1.811 |
1.883 |
0.072 |
SiBr4 |
Silicon tetrabromide |
rSiBr |
2.183 |
2.255 |
0.072 |
CuO |
Copper Monoxide |
rCuO |
1.724 |
1.653 |
-0.072 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.891 |
0.071 |
ClCOClCO |
Oxalyl chloride |
rCCl |
1.744 |
1.815 |
0.071 |
CH3Cl |
Methyl chloride |
rCCl |
1.785 |
1.856 |
0.071 |
CH3Cl |
Methyl chloride |
rCCl |
1.785 |
1.856 |
0.071 |
CH3Cl |
Methyl chloride |
rCCl |
1.785 |
1.856 |
0.071 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
rCCl |
1.790 |
1.861 |
0.071 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
rCCl |
1.790 |
1.861 |
0.071 |
BH3PH3 |
borane phosphine |
rBP |
1.937 |
2.007 |
0.070 |
CH2BrF |
Methane, bromofluoro- |
rCBr |
1.915 |
1.985 |
0.070 |
CCl2O |
Phosgene |
rCCl |
1.737 |
1.806 |
0.070 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.439 |
0.069 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.439 |
0.069 |
C6H4Cl2 |
1,3-dichlorobenzene |
rCCl |
1.736 |
1.805 |
0.069 |
C3H6S |
Thietane |
rCS |
1.847 |
1.916 |
0.069 |
ClNO |
Nitrosyl chloride |
rNCl |
1.975 |
2.044 |
0.069 |
NeH+ |
neon hydrogen cation |
rNeH |
0.991 |
1.060 |
0.068 |
CH2Cl2 |
Methylene chloride |
rCCl |
1.767 |
1.835 |
0.068 |
CH2Cl2 |
Methylene chloride |
rCCl |
1.767 |
1.835 |
0.068 |
CH3S |
thiomethoxy |
rCS |
1.791 |
1.859 |
0.068 |
CBrCl3 |
Methane, bromotrichloro- |
rCCl |
1.765 |
1.833 |
0.068 |
C3H6S3 |
1,3,5-Trithiane |
rCS |
1.801 |
1.869 |
0.068 |
CH3SCH3 |
Dimethyl sulfide |
rCS |
1.802 |
1.869 |
0.067 |
CH3SCH3 |
Dimethyl sulfide |
rCS |
1.802 |
1.869 |
0.067 |
ClNO |
Nitrosyl chloride |
rNCl |
1.975 |
2.042 |
0.067 |
N2F2 |
(Z)-Difluorodiazene |
rNF |
1.384 |
1.451 |
0.067 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.656 |
0.066 |
CHClCCl2 |
Trichloroethylene |
rCCl |
1.720 |
1.786 |
0.066 |
CH3SSCH3 |
Disulfide, dimethyl |
rCS |
1.810 |
1.876 |
0.066 |
CH3SCH2CH3 |
Ethane, (methylthio)- |
rCS |
1.804 |
1.870 |
0.066 |
NF3 |
Nitrogen trifluoride |
rNF |
1.365 |
1.431 |
0.066 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.656 |
0.066 |
NF3 |
Nitrogen trifluoride |
rNF |
1.365 |
1.431 |
0.066 |
CHCl3 |
Chloroform |
rCCl |
1.762 |
1.828 |
0.066 |
CHCl3 |
Chloroform |
rCCl |
1.762 |
1.828 |
0.066 |
Ne2+ |
Neon diatomic cation |
rNeNe |
1.765 |
1.830 |
0.065 |
CCl4 |
Carbon tetrachloride |
rCCl |
1.767 |
1.832 |
0.065 |
CCl4 |
Carbon tetrachloride |
rCCl |
1.767 |
1.831 |
0.064 |
CF |
Fluoromethylidyne |
rCF |
1.276 |
1.340 |
0.064 |
CF |
Fluoromethylidyne |
rCF |
1.276 |
1.340 |
0.064 |
HCCCl |
Chloroacetylene |
rCCl |
1.637 |
1.701 |
0.064 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
rCCl |
1.717 |
1.781 |
0.064 |
C2H2+ |
acetylene cation |
rCC |
1.253 |
1.316 |
0.064 |
CH2ClCHCHCH3 |
2-Butene, 1-chloro- |
rCCl |
1.807 |
1.871 |
0.064 |
HCF |
Fluoromethylene |
rCF |
1.305 |
1.368 |
0.063 |
HNCS |
Isothiocyanic acid |
rCS |
1.567 |
1.630 |
0.063 |
GeF+ |
Germanium monofluoride cation |
rFGe |
1.665 |
1.729 |
0.063 |
CHClCCl2 |
Trichloroethylene |
rCCl |
1.714 |
1.777 |
0.063 |
CF2 |
Difluoromethylene |
rCF |
1.297 |
1.360 |
0.063 |
CF2 |
Difluoromethylene |
rCF |
1.297 |
1.360 |
0.063 |
C4H8S |
Thiophene, tetrahydro- |
rCS |
1.835 |
1.897 |
0.062 |
C4H8O2 |
Ethyl acetate |
rCO |
1.448 |
1.510 |
0.062 |
ClCN |
chlorocyanogen |
rCCl |
1.629 |
1.691 |
0.062 |
CH2ClCCCl |
1,3-dichloropropyne |
rCCl |
1.638 |
1.700 |
0.062 |
CF2CCl2 |
difluorodichloroethylene |
rCCl |
1.706 |
1.768 |
0.062 |
CF2 |
Difluoromethylene |
rCF |
1.297 |
1.359 |
0.062 |
HNCS |
Isothiocyanic acid |
rCS |
1.567 |
1.628 |
0.061 |
NS+ |
nitrogen sulfide cation |
rNS |
1.440 |
1.501 |
0.061 |
CHSNH2 |
thioformamide |
rCS |
1.626 |
1.687 |
0.061 |
CH3OCl |
methyl hypochlorite |
rCO |
1.389 |
1.450 |
0.061 |
FNO3 |
Fluorine nitrate |
rNO |
1.507 |
1.568 |
0.061 |
B4H10 |
Tetraborane(10) |
rHB |
1.484 |
1.423 |
-0.061 |
CFCl3 |
Trichloromonofluoromethane |
rCCl |
1.764 |
1.824 |
0.061 |
ClOOCl |
Dichlorine dioxide |
rOO |
1.426 |
1.365 |
-0.061 |
CH3SH |
Methanethiol |
rCS |
1.818 |
1.879 |
0.061 |
CH3SH |
Methanethiol |
rCS |
1.818 |
1.879 |
0.061 |
AlN |
Aluminum nitride |
rNAl |
1.786 |
1.726 |
-0.061 |
CH3CHNOH |
Acetaldoxime |
rCC |
1.550 |
1.489 |
-0.061 |
CH3SH |
Methanethiol |
rCS |
1.818 |
1.878 |
0.060 |
GeS |
Germanium monosulfide |
rSGe |
2.012 |
2.072 |
0.060 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.779 |
0.060 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.779 |
0.060 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.779 |
0.060 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.779 |
0.060 |
CH3CHNOH |
Acetaldoxime |
rCC |
1.550 |
1.490 |
-0.060 |
MgCl2 |
Magnesium dichloride |
rMgCl |
2.180 |
2.240 |
0.060 |
MgS |
magnesium sulfide |
rMgS |
2.143 |
2.202 |
0.060 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.430 |
0.060 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.430 |
0.060 |
FO |
Oxygen monofluoride |
rFO |
1.354 |
1.413 |
0.059 |
FO |
Oxygen monofluoride |
rFO |
1.354 |
1.413 |
0.059 |
AlH |
aluminum monohydride |
rAlH |
1.648 |
1.707 |
0.059 |
NSe |
Nitrogen monoselenide |
rNSe |
1.652 |
1.711 |
0.059 |
CF3Cl |
Methane, chlorotrifluoro- |
rCCl |
1.752 |
1.810 |
0.058 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.532 |
-0.058 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.532 |
-0.058 |
CF3Cl |
Methane, chlorotrifluoro- |
rCCl |
1.752 |
1.810 |
0.058 |
CHClCCl2 |
Trichloroethylene |
rCCl |
1.712 |
1.770 |
0.058 |
NF |
nitrogen fluoride |
rNF |
1.317 |
1.375 |
0.058 |
NF |
nitrogen fluoride |
rNF |
1.317 |
1.375 |
0.058 |
N2H4 |
Hydrazine |
rNN |
1.446 |
1.388 |
-0.058 |
N2H4 |
Hydrazine |
rNN |
1.446 |
1.388 |
-0.058 |
BC |
boron monocarbide |
rBC |
1.491 |
1.433 |
-0.058 |
SiSe |
Silicon Monoselenide |
rSiSe |
2.058 |
2.116 |
0.058 |
CH3CHSHCH3 |
2-Propanethiol |
rCS |
1.849 |
1.906 |
0.057 |
BF |
Boron monofluoride |
rBF |
1.267 |
1.324 |
0.057 |
BF |
Boron monofluoride |
rBF |
1.267 |
1.324 |
0.057 |
CuF |
Copper monofluoride |
rCuF |
1.745 |
1.688 |
-0.057 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.382 |
1.439 |
0.057 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.382 |
1.439 |
0.057 |
CF3OF |
Trifluoromethylhypofluorite |
rOF |
1.421 |
1.478 |
0.057 |
CF3OF |
Trifluoromethylhypofluorite |
rOF |
1.421 |
1.478 |
0.057 |
CH2ClCHO |
chloroacetaldehyde |
rCCl |
1.782 |
1.839 |
0.057 |
F2O |
Difluorine monoxide |
rFO |
1.405 |
1.462 |
0.057 |
CS |
carbon monosulfide |
rCS |
1.535 |
1.591 |
0.057 |
C2H5Br |
Ethyl bromide |
rCBr |
1.950 |
2.006 |
0.056 |
C2H5Br |
Ethyl bromide |
rCBr |
1.950 |
2.006 |
0.056 |
CH3CSNH2 |
Ethanethioamide |
rCS |
1.647 |
1.703 |
0.056 |
KOH |
Potassium hydroxide |
rOH |
0.912 |
0.968 |
0.056 |
F2+ |
flourine diatomic cation |
rFF |
1.322 |
1.378 |
0.056 |
F2+ |
flourine diatomic cation |
rFF |
1.322 |
1.378 |
0.056 |
AsF |
Arsenic monofluoride |
rFAs |
1.736 |
1.792 |
0.056 |
AsF |
Arsenic monofluoride |
rFAs |
1.736 |
1.792 |
0.056 |
FCO |
Carbonyl fluoride |
rCF |
1.326 |
1.382 |
0.056 |
PN |
Phosphorus mononitride |
rPN |
1.491 |
1.546 |
0.055 |
CH3CHS |
Thioacetaldehyde |
rCS |
1.610 |
1.665 |
0.055 |
CH3CHS |
Thioacetaldehyde |
rCS |
1.610 |
1.665 |
0.055 |
PN |
Phosphorus mononitride |
rPN |
1.491 |
1.546 |
0.055 |
B4H10 |
Tetraborane(10) |
rHB |
1.315 |
1.260 |
-0.055 |
C2Cl4 |
Tetrachloroethylene |
rCCl |
1.718 |
1.773 |
0.055 |
AsF3 |
Arsenic trifluoride |
rAsF |
1.706 |
1.761 |
0.055 |
SeF4 |
Selenium tetrafluoride |
rFSe |
1.771 |
1.826 |
0.055 |
BeCl |
beryllium monochloride |
rBeCl |
1.797 |
1.852 |
0.055 |
BeCl |
beryllium monochloride |
rBeCl |
1.797 |
1.852 |
0.055 |
HCF |
Fluoromethylene |
rCF |
1.305 |
1.359 |
0.054 |
HCF |
Fluoromethylene |
rCF |
1.305 |
1.359 |
0.054 |
GeF4 |
Germanium tetrafluoride |
rFGe |
1.670 |
1.724 |
0.054 |
CH3COF |
Acetyl fluoride |
rCF |
1.348 |
1.402 |
0.054 |
HPO |
Hydrogen phosphorus oxide |
rPH |
1.433 |
1.487 |
0.054 |
GeF4 |
Germanium tetrafluoride |
rFGe |
1.670 |
1.724 |
0.054 |
CH3Br |
methyl bromide |
rCBr |
1.934 |
1.987 |
0.053 |
CH3Br |
methyl bromide |
rCBr |
1.934 |
1.987 |
0.053 |
C3F8 |
perfluoropropane |
rCF |
1.330 |
1.383 |
0.053 |
AsF |
Arsenic monofluoride |
rFAs |
1.736 |
1.789 |
0.053 |
SiN |
Silicon nitride |
rSiN |
1.575 |
1.628 |
0.053 |
C2H4O |
Ethylene oxide |
rCO |
1.425 |
1.478 |
0.053 |
C2H4O |
Ethylene oxide |
rCO |
1.425 |
1.478 |
0.053 |
CH2O2 |
Dioxirane |
rOO |
1.516 |
1.568 |
0.053 |
CH3CH2SH |
ethanethiol |
rSH |
1.322 |
1.375 |
0.053 |
CH3CH2SH |
ethanethiol |
rSH |
1.322 |
1.375 |
0.053 |
CH2CS |
Thioketene |
rCS |
1.554 |
1.606 |
0.052 |
HCCl |
Chloromethylene |
rCCl |
1.696 |
1.749 |
0.052 |
CH3SSH |
Hydrogen methyl disulfide |
rCS |
1.823 |
1.875 |
0.052 |
CH3CH2SH |
ethanethiol |
rSH |
1.322 |
1.374 |
0.052 |
CH3CH2SH |
ethanethiol |
rSH |
1.322 |
1.374 |
0.052 |
CH3CH2SH |
ethanethiol |
rSH |
1.322 |
1.374 |
0.052 |
CH3CH2SH |
ethanethiol |
rSH |
1.322 |
1.374 |
0.052 |
C6H5NH2 |
aniline |
rCN |
1.431 |
1.379 |
-0.052 |
SiH |
Silylidyne |
rSiH |
1.520 |
1.572 |
0.051 |
SiH |
Silylidyne |
rSiH |
1.520 |
1.571 |
0.051 |
SiH |
Silylidyne |
rSiH |
1.520 |
1.571 |
0.051 |
AlF3 |
Aluminum trifluoride |
rAlF |
1.630 |
1.681 |
0.051 |
AlF3 |
Aluminum trifluoride |
rAlF |
1.630 |
1.681 |
0.051 |
BBr |
Boron monobromide |
rBBr |
1.888 |
1.939 |
0.051 |
HCF |
Fluoromethylene |
rCH |
1.138 |
1.088 |
-0.050 |
NaCl |
Sodium Chloride |
rNaCl |
2.361 |
2.411 |
0.050 |
NaCl |
Sodium Chloride |
rNaCl |
2.361 |
2.411 |
0.050 |
HCF |
Fluoromethylene |
rCH |
1.138 |
1.088 |
-0.050 |
CH3PH2 |
Methyl phosphine |
rCP |
1.858 |
1.908 |
0.050 |
GaBr |
Gallium monobromide |
rGaBr |
2.352 |
2.403 |
0.050 |
648 molecules.