Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
C4H6 |
1-Methylcyclopropene |
rCH |
1.085 |
4.226 |
3.141 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
3.452 |
2.365 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
3.170 |
1.015 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.260 |
0.916 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.260 |
0.916 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.912 |
0.817 |
CH3CH2SH |
ethanethiol |
rCH |
1.095 |
1.909 |
0.814 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.476 |
2.280 |
0.804 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.898 |
0.743 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.897 |
0.742 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
1.824 |
0.737 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.777 |
0.679 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.764 |
0.666 |
CH3SO2NH2 |
methanesulfonamide |
rCN |
1.207 |
1.821 |
0.614 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.070 |
1.534 |
0.464 |
Ar2 |
Argon diatomic |
rArAr |
3.758 |
4.219 |
0.461 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.346 |
0.448 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.528 |
0.439 |
CH3CH2SH |
ethanethiol |
rCH |
1.089 |
1.527 |
0.438 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.528 |
0.436 |
CH3CH2SH |
ethanethiol |
rCH |
1.092 |
1.527 |
0.435 |
C4H10O |
Methyl propyl ether |
rCC |
1.530 |
1.096 |
-0.434 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.515 |
1.090 |
-0.425 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.516 |
0.423 |
C2H4F2 |
1,2-difluoroethane |
rCH |
1.093 |
1.506 |
0.413 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.323 |
0.406 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.603 |
1.990 |
0.387 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.912 |
0.384 |
CH3CH2SH |
ethanethiol |
rCC |
1.528 |
1.909 |
0.381 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.501 |
0.371 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.040 |
2.409 |
0.369 |
CH2CHCH2F |
Allyl Fluoride |
rHC |
1.130 |
1.496 |
0.366 |
C3H3NO |
Isoxazole |
rCH |
1.075 |
1.432 |
0.357 |
C4H10O |
Methyl propyl ether |
rCH |
1.099 |
1.452 |
0.353 |
Ar2+ |
Argon diatomic cation |
rArAr |
2.320 |
2.653 |
0.333 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.125 |
-0.325 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.125 |
-0.325 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.125 |
-0.325 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.125 |
-0.325 |
CaS |
Calcium sulfide |
rSCa |
2.318 |
2.637 |
0.319 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.527 |
-0.293 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.528 |
-0.292 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.888 |
0.292 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.888 |
0.292 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
2.107 |
0.285 |
SF5Cl |
sulfur chloropentafluoride |
rSCl |
2.030 |
2.310 |
0.280 |
C2H2+ |
acetylene cation |
rCH |
1.077 |
1.348 |
0.271 |
Cl2+ |
chlorine diatomic cation |
rClCl |
1.892 |
2.156 |
0.265 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.732 |
0.262 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.713 |
1.970 |
0.257 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.147 |
-0.253 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.147 |
-0.253 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.147 |
-0.253 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.711 |
0.251 |
SSO |
Disulfur monoxide |
rSS |
1.884 |
2.126 |
0.242 |
OPCl |
Phosphorus oxychloride |
rPCl |
2.059 |
2.295 |
0.237 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.300 |
1.533 |
0.233 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.900 |
0.232 |
SFCl |
Sulfur chloride fluoride |
rSCl |
1.994 |
2.225 |
0.231 |
ClOF3 |
Chlorine trifluoride oxide |
rOCl |
1.405 |
1.632 |
0.227 |
CaBr |
Calcium monobromide |
rCaBr |
2.594 |
2.819 |
0.226 |
Cl2 |
Chlorine diatomic |
rClCl |
1.988 |
2.212 |
0.224 |
FSN |
Thiazyl fluoride |
rFS |
1.643 |
1.866 |
0.223 |
ClOOCl |
Dichlorine dioxide |
rOCl |
1.704 |
1.927 |
0.223 |
S2N2 |
Disulfur dinitride |
rNS |
1.642 |
1.864 |
0.222 |
CH3SSH |
Hydrogen methyl disulfide |
rSS |
2.038 |
2.260 |
0.222 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.138 |
0.221 |
SCl |
sulfur monochloride |
rSCl |
1.975 |
2.195 |
0.219 |
SO3 |
Sulfur trioxide |
rSO |
1.418 |
1.634 |
0.216 |
C2H6O2S |
Dimethyl sulfone |
rSO |
1.431 |
1.645 |
0.214 |
SOF4 |
Sulfur tetrafluoride oxide |
rFS |
1.539 |
1.752 |
0.213 |
SO2 |
Sulfur dioxide |
rSO |
1.432 |
1.644 |
0.212 |
H2S2 |
Disulfane |
rSS |
2.056 |
2.266 |
0.210 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.106 |
0.208 |
SSO |
Disulfur monoxide |
rSO |
1.456 |
1.664 |
0.208 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.106 |
0.208 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.260 |
0.207 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.260 |
0.207 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.260 |
0.206 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.260 |
0.206 |
BrCl |
Bromine monochloride |
rClBr |
2.136 |
2.339 |
0.203 |
ONNO |
NO dimer |
rNN |
2.236 |
2.036 |
-0.200 |
CH3SOCH3 |
Dimethyl sulfoxide |
rSO |
1.485 |
1.685 |
0.200 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.680 |
0.199 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.680 |
0.199 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.307 |
0.197 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.307 |
0.197 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.307 |
0.197 |
GaP |
Gallium monophosphide |
rPGa |
2.110 |
2.307 |
0.197 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.472 |
-0.196 |
S2 |
Sulfur diatomic |
rSS |
1.889 |
2.085 |
0.196 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.793 |
0.196 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.793 |
0.196 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.889 |
0.192 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.889 |
0.192 |
SO+ |
sulfur monoxide cation |
rOS |
1.424 |
1.616 |
0.192 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.888 |
0.192 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.888 |
0.192 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.025 |
-0.191 |
CaC |
Calcium monocarbide |
rCCa |
2.302 |
2.492 |
0.191 |
Br2 |
Bromine diatomic |
rBrBr |
2.281 |
2.470 |
0.189 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.799 |
0.188 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.545 |
1.733 |
0.188 |
SiCl |
Clorosilylidyne |
rSiCl |
2.061 |
2.243 |
0.182 |
HSiCl |
Chlorosilylene |
rSiCl |
2.067 |
2.249 |
0.182 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.662 |
0.181 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.662 |
0.181 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.680 |
0.180 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.680 |
0.180 |
PO |
Phosphorus monoxide |
rPO |
1.476 |
1.654 |
0.179 |
SOF4 |
Sulfur tetrafluoride oxide |
rSO |
1.409 |
1.585 |
0.176 |
SeCl2 |
Selenium Dichloride |
rClSe |
2.157 |
2.333 |
0.176 |
CFCl |
chlorofluoromethylene |
rCCl |
1.714 |
1.890 |
0.176 |
SF6 |
Sulfur Hexafluoride |
rSF |
1.561 |
1.735 |
0.174 |
NCl3 |
nitrogen trichloride |
rNCl |
1.754 |
1.927 |
0.174 |
SF5Cl |
sulfur chloropentafluoride |
rFS |
1.576 |
1.749 |
0.173 |
SOF4 |
Sulfur tetrafluoride oxide |
rFS |
1.596 |
1.766 |
0.170 |
ClO |
Monochlorine monoxide |
rClO |
1.596 |
1.761 |
0.165 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.662 |
0.162 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.662 |
0.162 |
AlCl |
Aluminum monochloride |
rAlCl |
2.130 |
2.292 |
0.161 |
HOSH |
hydrogen thioperoxide |
rSO |
1.662 |
1.823 |
0.161 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.511 |
-0.157 |
SF2 |
sulfur difluoride |
rSF |
1.587 |
1.743 |
0.156 |
As4 |
Arsenic tetramer |
rAsAs |
2.435 |
2.590 |
0.155 |
SiH3Cl |
chlorosilane |
rSiCl |
2.051 |
2.202 |
0.152 |
SiBr |
Silicon monobromide |
rSiBr |
2.209 |
2.360 |
0.151 |
F2+ |
flourine diatomic cation |
rFF |
1.322 |
1.472 |
0.150 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.247 |
0.149 |
N2 |
Nitrogen diatomic |
rNN |
1.098 |
1.247 |
0.149 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
1.867 |
0.149 |
SiH2Cl2 |
dichlorosilane |
rSiCl |
2.033 |
2.182 |
0.149 |
HOCl |
hypochlorous acid |
rClO |
1.697 |
1.845 |
0.148 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
1.865 |
0.148 |
CaBr2 |
Calcium dibromide |
rCaBr |
2.616 |
2.763 |
0.147 |
ClF |
Chlorine monofluoride |
rFCl |
1.628 |
1.775 |
0.147 |
SFCl |
Sulfur chloride fluoride |
rFS |
1.606 |
1.752 |
0.146 |
SF |
Monosulfur monofluoride |
rSF |
1.599 |
1.743 |
0.144 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.307 |
-0.143 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.307 |
-0.143 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.307 |
-0.143 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.307 |
-0.143 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.646 |
1.788 |
0.142 |
NHCl2 |
dichloroamine |
rNCl |
1.760 |
1.901 |
0.141 |
AsCl3 |
Arsenous trichloride |
rClAs |
2.166 |
2.306 |
0.140 |
PF5 |
Phosphorus pentafluoride |
rPF |
1.534 |
1.673 |
0.139 |
SiBr+ |
Silicon monobromide cation |
rSiBr |
2.095 |
2.235 |
0.139 |
PF2 |
Phosphorus difluoride |
rPF |
1.579 |
1.716 |
0.137 |
Se2 |
Selenium diatomic |
rSeSe |
2.166 |
2.303 |
0.137 |
GeCl |
Germanium monochloride |
rClGe |
2.164 |
2.300 |
0.136 |
ClNO |
Nitrosyl chloride |
rNCl |
1.975 |
2.109 |
0.134 |
CH2ClCCCl |
1,3-dichloropropyne |
rCCl |
1.779 |
1.911 |
0.133 |
OPCl |
Phosphorus oxychloride |
rPO |
1.462 |
1.593 |
0.131 |
HSiBr |
monobromosilylene |
rSiBr |
2.237 |
2.367 |
0.130 |
SiF+ |
silicon monofluoride cation |
rFSi |
1.527 |
1.654 |
0.127 |
CH3CHClCH3 |
Propane, 2-chloro- |
rCCl |
1.798 |
1.925 |
0.127 |
CBr |
Carbon monobromide |
rCBr |
1.821 |
1.947 |
0.126 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.341 |
0.126 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.125 |
-0.125 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.125 |
-0.125 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.125 |
-0.125 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.125 |
-0.125 |
SiS |
silicon monosulfide |
rSiS |
1.929 |
2.052 |
0.123 |
P2 |
Phosphorus diatomic |
rPP |
1.893 |
2.016 |
0.123 |
CH2ClCHCHCH3 |
2-Butene, 1-chloro- |
rCCl |
1.807 |
1.929 |
0.122 |
SeO2 |
Selenium dioxide |
rSeO |
1.607 |
1.728 |
0.121 |
C2H4S |
Thiirane |
rCS |
1.815 |
1.936 |
0.121 |
AlBr |
Aluminum monobromide |
rAlBr |
2.295 |
2.414 |
0.119 |
SiF3 |
Silicon trifluoride radical |
rFSi |
1.565 |
1.682 |
0.117 |
BH3PH3 |
borane phosphine |
rBP |
1.937 |
2.053 |
0.116 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.125 |
-0.115 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.125 |
-0.115 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.125 |
-0.115 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.125 |
-0.115 |
SeO |
Selenium monoxide |
rSeO |
1.639 |
1.754 |
0.115 |
HOBr |
Hypobromous acid |
rBrO |
1.834 |
1.949 |
0.115 |
PF5 |
Phosphorus pentafluoride |
rFP |
1.577 |
1.691 |
0.114 |
SiF |
silicon monofluoride |
rSiF |
1.604 |
1.718 |
0.114 |
BrO+ |
Bromine monoxide cation |
rOBr |
1.635 |
1.748 |
0.113 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.147 |
-0.113 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.147 |
-0.113 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.147 |
-0.113 |
SiF2 |
Silicon difluoride |
rFSi |
1.590 |
1.702 |
0.112 |
C2H6O2S |
Dimethyl sulfone |
rCS |
1.777 |
1.888 |
0.111 |
GeCl2 |
Germanium dichloride |
rClGe |
2.186 |
2.297 |
0.111 |
SiH3F |
monofluorosilane |
rSiF |
1.595 |
1.704 |
0.110 |
SiH2F2 |
difluorosilane |
rSiF |
1.576 |
1.686 |
0.110 |
BrF |
Bromine monofluoride |
rFBr |
1.759 |
1.867 |
0.108 |
GaCl |
Gallium monochloride |
rClGa |
2.202 |
2.309 |
0.107 |
SiH3Br |
bromosilane |
rSiBr |
2.210 |
2.316 |
0.106 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.811 |
0.106 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.811 |
0.106 |
SeF4 |
Selenium tetrafluoride |
rFSe |
1.682 |
1.787 |
0.105 |
SiHF3 |
trifluorosilane |
rSiF |
1.563 |
1.667 |
0.105 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.810 |
0.105 |
NH2SH |
Thiohydroxylamine |
rNS |
1.705 |
1.810 |
0.105 |
CH2CClCHCH2 |
1,3-Butadiene, 2-chloro- |
rCCl |
1.742 |
1.846 |
0.104 |
SiO |
Silicon monoxide |
rSiO |
1.510 |
1.614 |
0.104 |
ClCOClCO |
Oxalyl chloride |
rCCl |
1.744 |
1.848 |
0.104 |
CHFClBr |
fluorochlorobromomethane |
rCCl |
1.745 |
1.848 |
0.103 |
FSN |
Thiazyl fluoride |
rNS |
1.448 |
1.551 |
0.103 |
CH3SOCH3 |
Dimethyl sulfoxide |
rCS |
1.799 |
1.902 |
0.103 |
CHFClBr |
fluorochlorobromomethane |
rCCl |
1.745 |
1.848 |
0.103 |
CH2BrCl |
Methane, bromochloro- |
rCCl |
1.755 |
1.858 |
0.103 |
He2+ |
helium diatomic cation |
rHeHe |
1.081 |
1.181 |
0.100 |
CH3CCl2CH3 |
Propane, 2,2-dichloro- |
rCCl |
1.799 |
1.898 |
0.099 |
C2H2ClF |
1-chloro-1-fluoroethylene |
rCCl |
1.704 |
1.802 |
0.098 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.789 |
0.098 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.789 |
0.098 |
C6H4Cl2 |
1,4-dichlorobenzene |
rCCl |
1.729 |
1.827 |
0.098 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.788 |
0.097 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.788 |
0.097 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.317 |
0.097 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.317 |
0.097 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.317 |
0.097 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.317 |
0.097 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.317 |
0.097 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.317 |
0.097 |
PN |
Phosphorus mononitride |
rPN |
1.491 |
1.587 |
0.096 |
KH |
Potassium hydride |
rKH |
2.243 |
2.338 |
0.096 |
SiC2 |
Silicon dicarbide |
rCSi |
1.836 |
1.932 |
0.095 |
C2 |
Carbon diatomic |
rCC |
1.243 |
1.338 |
0.095 |
PS |
phosphorus sulfide |
rPS |
1.900 |
1.994 |
0.094 |
CH3Cl |
Methyl chloride |
rCCl |
1.785 |
1.879 |
0.094 |
CH3Cl |
Methyl chloride |
rCCl |
1.785 |
1.879 |
0.094 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
rCCl |
1.790 |
1.883 |
0.093 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
rCCl |
1.790 |
1.883 |
0.093 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.912 |
0.092 |
CF2Cl2 |
difluorodichloromethane |
rCCl |
1.744 |
1.836 |
0.092 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.811 |
0.092 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.811 |
0.092 |
O3 |
Ozone |
rOO |
1.278 |
1.370 |
0.092 |
GeS |
Germanium monosulfide |
rSGe |
2.012 |
2.103 |
0.091 |
C6H4Cl2 |
1,3-dichlorobenzene |
rCCl |
1.736 |
1.826 |
0.091 |
SiBr4 |
Silicon tetrabromide |
rSiBr |
2.183 |
2.274 |
0.091 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.810 |
0.091 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.810 |
0.091 |
FNO2 |
Nitryl fluoride |
rNF |
1.467 |
1.557 |
0.090 |
NF3 |
Nitrogen trifluoride |
rNF |
1.365 |
1.455 |
0.090 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.909 |
0.089 |
O2- |
oxygen diatomic anion |
rOO |
1.350 |
1.439 |
0.089 |
CF3OF |
Trifluoromethylhypofluorite |
rOF |
1.421 |
1.510 |
0.089 |
CH2Cl2 |
Methylene chloride |
rCCl |
1.767 |
1.855 |
0.088 |
CH2ClCHCHCH3 |
2-Butene, 1-chloro- |
rCCl |
1.807 |
1.894 |
0.087 |
CH2BrF |
Methane, bromofluoro- |
rCBr |
1.915 |
2.002 |
0.087 |
C3H6S3 |
1,3,5-Trithiane |
rCS |
1.801 |
1.887 |
0.086 |
CH3SCH3 |
Dimethyl sulfide |
rCS |
1.802 |
1.887 |
0.085 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.455 |
0.085 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.455 |
0.085 |
SiSe |
Silicon Monoselenide |
rSiSe |
2.058 |
2.143 |
0.085 |
CHCl3 |
Chloroform |
rCCl |
1.762 |
1.847 |
0.085 |
HCCCl |
Chloroacetylene |
rCCl |
1.637 |
1.721 |
0.085 |
CCl4 |
Carbon tetrachloride |
rCCl |
1.767 |
1.851 |
0.084 |
Si2H2 |
disilyne |
rSiH |
1.668 |
1.752 |
0.084 |
N2O4 |
Dinitrogen tetroxide |
rNN |
1.782 |
1.865 |
0.083 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.317 |
-0.083 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.317 |
-0.083 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.317 |
-0.083 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.317 |
-0.083 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.317 |
-0.083 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.317 |
-0.083 |
FNO |
Nitrosyl fluoride |
rNF |
1.512 |
1.595 |
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 |
CH2ClCCCl |
1,3-dichloropropyne |
rCCl |
1.638 |
1.720 |
0.082 |
C2H2N2O |
Furazan |
rNO |
1.373 |
1.455 |
0.082 |
LiCl |
lithium chloride |
rLiCl |
2.021 |
2.102 |
0.082 |
CF2CCl2 |
difluorodichloroethylene |
rCCl |
1.706 |
1.787 |
0.081 |
AlC |
Aluminum carbide |
rCAl |
1.955 |
2.035 |
0.080 |
HNCS |
Isothiocyanic acid |
rCS |
1.567 |
1.646 |
0.079 |
LiS |
Lithium monosulfide |
rLiS |
2.150 |
2.229 |
0.079 |
CH3SH |
Methanethiol |
rCS |
1.818 |
1.897 |
0.079 |
CH3SH |
Methanethiol |
rCS |
1.818 |
1.897 |
0.079 |
C2H4O |
Ethylene oxide |
rCO |
1.425 |
1.503 |
0.078 |
SiP |
Silicon monophosphide |
rSiP |
2.078 |
2.155 |
0.077 |
CF |
Fluoromethylidyne |
rCF |
1.276 |
1.353 |
0.077 |
FCO |
Carbonyl fluoride |
rCF |
1.326 |
1.403 |
0.077 |
C2H5Br |
Ethyl bromide |
rCBr |
1.950 |
2.026 |
0.076 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.446 |
0.076 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.446 |
0.076 |
C2H2+ |
acetylene cation |
rCC |
1.253 |
1.329 |
0.076 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.282 |
0.075 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.282 |
0.075 |
CHSNH2 |
thioformamide |
rCS |
1.626 |
1.701 |
0.075 |
CH3Br |
methyl bromide |
rCBr |
1.934 |
2.009 |
0.075 |
CF2 |
Difluoromethylene |
rCF |
1.297 |
1.372 |
0.075 |
AlF |
Aluminum monofluoride |
rAlF |
1.654 |
1.728 |
0.074 |
HNO3 |
Nitric acid |
rNO |
1.406 |
1.480 |
0.074 |
CF3Cl |
Methane, chlorotrifluoro- |
rCCl |
1.752 |
1.826 |
0.074 |
CH3CHNOH |
Acetaldoxime |
rNO |
1.408 |
1.482 |
0.074 |
FO |
Oxygen monofluoride |
rFO |
1.354 |
1.428 |
0.073 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.382 |
1.455 |
0.073 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.382 |
1.455 |
0.073 |
HNCS |
Isothiocyanic acid |
rCS |
1.567 |
1.640 |
0.073 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.147 |
-0.073 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.147 |
-0.073 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.147 |
-0.073 |
O2+ |
diatomic oxygen cation |
rOO |
1.116 |
1.189 |
0.073 |
CH3SSH |
Hydrogen methyl disulfide |
rCS |
1.823 |
1.895 |
0.072 |
HO2 |
Hydroperoxy radical |
rOO |
1.331 |
1.402 |
0.072 |
HOF |
Hypofluorous acid |
rFO |
1.442 |
1.513 |
0.071 |
F2 |
Fluorine diatomic |
rFF |
1.412 |
1.483 |
0.071 |
H2O2 |
Hydrogen peroxide |
rOO |
1.475 |
1.546 |
0.071 |
H2O2 |
Hydrogen peroxide |
rOO |
1.475 |
1.546 |
0.071 |
H2O2 |
Hydrogen peroxide |
rOO |
1.475 |
1.546 |
0.071 |
CH3CHS |
Thioacetaldehyde |
rCS |
1.610 |
1.680 |
0.070 |
C4H8O2 |
Ethyl acetate |
rCO |
1.448 |
1.518 |
0.070 |
NHF2 |
difluoramine |
rNF |
1.400 |
1.470 |
0.070 |
C2H5NO3 |
Nitric acid, ethyl ester |
rNO |
1.407 |
1.477 |
0.070 |
NO- |
nitric oxide anion |
rNO |
1.258 |
1.328 |
0.070 |
GeF+ |
Germanium monofluoride cation |
rFGe |
1.665 |
1.735 |
0.070 |
NS |
Mononitrogen monosulfide |
rNS |
1.497 |
1.566 |
0.069 |
GaBr |
Gallium monobromide |
rGaBr |
2.352 |
2.421 |
0.069 |
CH3CSNH2 |
Ethanethioamide |
rCS |
1.647 |
1.716 |
0.069 |
GeO |
Germanium monoxide |
rOGe |
1.625 |
1.693 |
0.068 |
GeO |
Germanium monoxide |
rOGe |
1.625 |
1.693 |
0.068 |
CH2CS |
Thioketene |
rCS |
1.554 |
1.621 |
0.067 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.307 |
0.067 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.307 |
0.067 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.307 |
0.067 |
GaP |
Gallium monophosphide |
rPGa |
2.240 |
2.307 |
0.067 |
HCF |
Fluoromethylene |
rCF |
1.305 |
1.372 |
0.067 |
SeF4 |
Selenium tetrafluoride |
rFSe |
1.771 |
1.836 |
0.065 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.240 |
2.175 |
-0.065 |
CH2NOH |
formaldoxime |
rNO |
1.408 |
1.473 |
0.065 |
AsF |
Arsenic monofluoride |
rFAs |
1.736 |
1.800 |
0.064 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.382 |
1.446 |
0.064 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.382 |
1.446 |
0.064 |
C2H5NO3 |
Nitric acid, ethyl ester |
rCO |
1.430 |
1.494 |
0.064 |
BF |
Boron monofluoride |
rBF |
1.267 |
1.330 |
0.063 |
BF |
Boron monofluoride |
rBF |
1.267 |
1.329 |
0.063 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.153 |
-0.063 |
CH2Br2 |
dibromomethane |
rCBr |
1.925 |
1.987 |
0.062 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.592 |
0.062 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.592 |
0.062 |
OCS |
Carbonyl sulfide |
rCS |
1.560 |
1.622 |
0.062 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.652 |
0.062 |
H2CS |
Thioformaldehyde |
rCS |
1.611 |
1.672 |
0.061 |
CF2O |
Carbonic difluoride |
rCF |
1.312 |
1.373 |
0.061 |
KOH |
Potassium hydroxide |
rOH |
0.912 |
0.973 |
0.061 |
CH2F2 |
Methane, difluoro- |
rCF |
1.351 |
1.410 |
0.060 |
B4H10 |
Tetraborane(10) |
rHB |
1.315 |
1.256 |
-0.059 |
C5H6 |
Propellane |
rCC |
1.596 |
1.655 |
0.059 |
GeF4 |
Germanium tetrafluoride |
rFGe |
1.670 |
1.729 |
0.059 |
NaS |
Sodium sulfide |
rNaS |
2.489 |
2.547 |
0.058 |
CH2BrCl |
Methane, bromochloro- |
rCBr |
1.928 |
1.986 |
0.058 |
CH3F |
Methyl fluoride |
rCF |
1.383 |
1.440 |
0.057 |
CH3F |
Methyl fluoride |
rCF |
1.383 |
1.440 |
0.057 |
CHF3 |
Methane, trifluoro- |
rCF |
1.328 |
1.386 |
0.057 |
GeSe |
Germanium monoselenide |
rGeSe |
2.135 |
2.192 |
0.057 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.307 |
0.057 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.307 |
0.057 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.307 |
0.057 |
GaP |
Gallium monophosphide |
rPGa |
2.250 |
2.307 |
0.057 |
NaCl |
Sodium Chloride |
rNaCl |
2.361 |
2.418 |
0.057 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.317 |
0.057 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.317 |
0.057 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.317 |
0.057 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.317 |
0.057 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.317 |
0.057 |
AlP |
Aluminum monophosphide |
rAlP |
2.260 |
2.317 |
0.057 |
CH3CHF2 |
Ethane, 1,1-difluoro- |
rCF |
1.364 |
1.421 |
0.057 |
KOH |
Potassium hydroxide |
rOK |
2.212 |
2.268 |
0.056 |
CS2 |
Carbon disulfide |
rCS |
1.554 |
1.610 |
0.056 |
C2H4F2 |
1,2-difluoroethane |
rCF |
1.390 |
1.446 |
0.056 |
C2H4F2 |
1,2-difluoroethane |
rCF |
1.390 |
1.446 |
0.056 |
SCSe |
Carbon sulfide selenide |
rCS |
1.553 |
1.609 |
0.056 |
CH3CH2SH |
ethanethiol |
rSH |
1.322 |
1.378 |
0.056 |
CH3CH2SH |
ethanethiol |
rSH |
1.322 |
1.378 |
0.056 |
CH3CH2SH |
ethanethiol |
rSH |
1.322 |
1.377 |
0.055 |
CH3CH2SH |
ethanethiol |
rSH |
1.322 |
1.377 |
0.055 |
B4H10 |
Tetraborane(10) |
rHB |
1.484 |
1.429 |
-0.055 |
CF3OF |
Trifluoromethylhypofluorite |
rCF |
1.319 |
1.374 |
0.055 |
CSe |
Carbon monoselenide |
rCSe |
1.676 |
1.730 |
0.054 |
CF3COOH |
trifluoroacetic acid |
rCF |
1.325 |
1.379 |
0.054 |
B2 |
Boron diatomic |
rBB |
1.590 |
1.536 |
-0.054 |
BClF2 |
Chlorodifluoroborane |
rBCl |
1.728 |
1.782 |
0.054 |
CH2CHF |
Ethene, fluoro- |
rCF |
1.347 |
1.401 |
0.054 |
C3O2 |
Carbon suboxide |
rCO |
1.146 |
1.199 |
0.053 |
NO2 |
Nitrogen dioxide |
rNO |
1.193 |
1.247 |
0.053 |
NO2 |
Nitrogen dioxide |
rNO |
1.193 |
1.247 |
0.053 |
C4H4Se |
selenophene |
rCSe |
1.855 |
1.908 |
0.053 |
C3H2O3 |
vinylene carbonate |
rCO |
1.364 |
1.417 |
0.053 |
C2H3NO |
Nitrosoethylene |
rNO |
1.220 |
1.273 |
0.053 |
CH2FCH2CH3 |
1-Fluoropropane |
rCF |
1.401 |
1.454 |
0.053 |
C2H4F2 |
1,2-difluoroethane |
rCF |
1.390 |
1.443 |
0.053 |
C2H4F2 |
1,2-difluoroethane |
rCF |
1.390 |
1.443 |
0.053 |
F2CCCF2 |
tetrafluoroallene |
rCF |
1.320 |
1.372 |
0.052 |
CF3Br |
Bromotrifluoromethane |
rCF |
1.327 |
1.378 |
0.052 |
CHFClBr |
fluorochlorobromomethane |
rCBr |
1.928 |
1.979 |
0.051 |
CHFClBr |
fluorochlorobromomethane |
rCBr |
1.928 |
1.979 |
0.051 |
CH3OC2H5 |
Ethane, methoxy- |
rCO |
1.407 |
1.458 |
0.051 |
CH3SeCH3 |
dimethylselenide |
rCSe |
1.943 |
1.994 |
0.051 |
HCCF |
Fluoroacetylene |
rCF |
1.279 |
1.330 |
0.051 |
GeH3F |
monofluorogermane |
rGeF |
1.731 |
1.782 |
0.051 |
HS- |
mercapto anion |
rSH |
1.343 |
1.394 |
0.051 |
CF3Cl |
Methane, chlorotrifluoro- |
rCF |
1.325 |
1.375 |
0.050 |
SiH |
Silylidyne |
rSiH |
1.520 |
1.570 |
0.050 |
CH3CHNOH |
Acetaldoxime |
rCC |
1.550 |
1.500 |
-0.050 |
Si2H6 |
disilane |
rSiSi |
2.320 |
2.370 |
0.050 |
402 molecules.