Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
CCl4 |
Carbon tetrachloride |
rCCl |
1.767 |
1.868 |
0.101 |
CH3SOCH3 |
Dimethyl sulfoxide |
rSO |
1.485 |
1.700 |
0.215 |
CH3SOCH3 |
Dimethyl sulfoxide |
rCS |
1.799 |
1.905 |
0.106 |
C2H6O2S |
Dimethyl sulfone |
rSO |
1.431 |
1.653 |
0.222 |
C2H6O2S |
Dimethyl sulfone |
rCS |
1.777 |
1.901 |
0.124 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
rCCl |
1.767 |
1.880 |
0.113 |
CH2BrCl |
Methane, bromochloro- |
rCCl |
1.755 |
1.870 |
0.115 |
CH3CH2Cl |
Ethyl chloride |
rCCl |
1.789 |
1.903 |
0.114 |
C2H3Cl |
Ethene, chloro- |
rCCl |
1.726 |
1.834 |
0.108 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.921 |
0.101 |
CH2Cl2 |
Methylene chloride |
rCCl |
1.767 |
1.867 |
0.100 |
C2H4O |
Ethylene oxide |
rCO |
1.425 |
1.539 |
0.114 |
CH3CHClCH3 |
Propane, 2-chloro- |
rCCl |
1.798 |
1.921 |
0.123 |
CH3CHCl2 |
Ethane, 1,1-dichloro- |
rCCl |
1.766 |
1.884 |
0.118 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
rCCl |
1.710 |
1.824 |
0.114 |
CH3COCl |
Acetyl Chloride |
rCCl |
1.798 |
1.932 |
0.134 |
CCl2O |
Phosgene |
rCCl |
1.737 |
1.853 |
0.116 |
C3H6O |
Propylene oxide |
rCO |
1.436 |
1.546 |
0.110 |
CBrCl3 |
Methane, bromotrichloro- |
rCCl |
1.765 |
1.873 |
0.108 |
SiCl3CH3 |
methyltrichlorosilane |
rSiCl |
2.026 |
2.200 |
0.174 |
CH3CHClCH2CH3 |
Butane, 2-chloro- |
rCCl |
1.781 |
1.923 |
0.142 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
rCCl |
1.793 |
1.901 |
0.108 |
CH2ClCHCl2 |
1,1,2-trichloroethane |
rCCl |
1.776 |
1.885 |
0.109 |
CHClCCl2 |
Trichloroethylene |
rCCl |
1.720 |
1.824 |
0.104 |
ClCOClCO |
Oxalyl chloride |
rCCl |
1.744 |
1.863 |
0.119 |
C3H5Cl3 |
Propane, 1,2,3-trichloro- |
rCCl |
1.790 |
1.926 |
0.136 |
C6H4Cl2 |
1,4-dichlorobenzene |
rCCl |
1.729 |
1.838 |
0.109 |
C3H5ClO |
Oxirane, (chloromethyl)- |
rCO |
1.442 |
1.545 |
0.103 |
C3H5ClO |
Oxirane, (chloromethyl)- |
rCCl |
1.798 |
1.901 |
0.103 |
C3H7SH |
1-Propanethiol |
rCS |
1.820 |
1.921 |
0.101 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
rCCl |
1.790 |
1.898 |
0.108 |
CH2ClCHO |
chloroacetaldehyde |
rCCl |
1.782 |
1.892 |
0.110 |
CH3CHNOH |
Acetaldoxime |
rNO |
1.408 |
1.509 |
0.101 |
C6H5Cl |
chlorobenzene |
rCCl |
1.725 |
1.842 |
0.117 |
CH2ClCH2CH2CH3 |
Butane, 1-chloro- |
rCCl |
1.780 |
1.903 |
0.123 |
C4H4S |
Thiophene |
rCS |
1.714 |
1.821 |
0.107 |
CH2CClCHCH2 |
1,3-Butadiene, 2-chloro- |
rCCl |
1.742 |
1.852 |
0.110 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
rCCl |
1.718 |
1.828 |
0.110 |
CH2N2 |
diazirine |
rNN |
1.228 |
1.346 |
0.118 |
CH2O2 |
Dioxirane |
rOO |
1.516 |
1.641 |
0.125 |
C3H6S |
Thietane |
rCS |
1.847 |
1.956 |
0.109 |
C3H3NO |
Isoxazole |
rCH |
1.075 |
1.453 |
0.378 |
C2H2N2O |
Furazan |
rNO |
1.373 |
1.475 |
0.102 |
C2H4O3 |
trioxolane124 |
rCN |
1.303 |
2.327 |
1.024 |
C3H6S3 |
1,3,5-Trithiane |
rCS |
1.801 |
1.903 |
0.102 |
CBrClF2 |
Methane, bromochlorodifluoro- |
rCCl |
1.736 |
1.843 |
0.108 |
CF3OF |
Trifluoromethylhypofluorite |
rOF |
1.421 |
1.526 |
0.105 |
C2H4S |
Thiirane |
rCS |
1.815 |
1.949 |
0.134 |
ClCN |
chlorocyanogen |
rCCl |
1.629 |
1.737 |
0.108 |
CH3CCl(CH3)CH3 |
Propane, 2-chloro-2-methyl- |
rCCl |
1.803 |
1.939 |
0.136 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.905 |
0.109 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.902 |
0.106 |
CH2SHCH2SH |
1,2-Ethanedithiol |
rCS |
1.819 |
1.923 |
0.104 |
C6H4Cl2 |
1,3-dichlorobenzene |
rCCl |
1.736 |
1.838 |
0.102 |
C5H6 |
1,3-Cyclopentadiene |
rCC |
1.340 |
3.394 |
2.054 |
C5H6 |
1,3-Cyclopentadiene |
rCC |
1.460 |
1.092 |
-0.368 |
C5H6 |
1,3-Cyclopentadiene |
rCC |
1.540 |
1.385 |
-0.155 |
C4H10O |
Methyl propyl ether |
rCC |
1.530 |
1.105 |
-0.425 |
C4H10O |
Methyl propyl ether |
rCH |
1.099 |
1.480 |
0.381 |
CH3COF |
Acetyl fluoride |
rCF |
1.348 |
1.478 |
0.130 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
rCCl |
1.813 |
1.930 |
0.117 |
HCCCl |
Chloroacetylene |
rCCl |
1.637 |
1.741 |
0.104 |
CH2ClI |
chloroiodomethane |
rCCl |
1.774 |
1.876 |
0.102 |
CH3OCl |
methyl hypochlorite |
rOCl |
1.674 |
1.860 |
0.186 |
CH3OCl |
methyl hypochlorite |
rCO |
1.389 |
1.497 |
0.108 |
CHFClBr |
fluorochlorobromomethane |
rCCl |
1.745 |
1.853 |
0.108 |
CH3CCl2CH3 |
Propane, 2,2-dichloro- |
rCCl |
1.799 |
1.903 |
0.104 |
C5H6S |
Thiophene, 3-methyl- |
rCS |
1.714 |
1.823 |
0.109 |
CH3SCH2CH3 |
Ethane, (methylthio)- |
rCS |
1.804 |
1.911 |
0.107 |
CH3SSCH3 |
Disulfide, dimethyl |
rSS |
2.038 |
2.265 |
0.227 |
CH2CHCH2F |
Allyl Fluoride |
rCF |
1.370 |
1.492 |
0.122 |
CH2CHCH2CH2Cl |
1-Butene, 4-chloro- |
rCCl |
1.794 |
1.903 |
0.109 |
CH2ClCCCl |
1,3-dichloropropyne |
rCCl |
1.779 |
1.911 |
0.132 |
CH2ClCCCl |
1,3-dichloropropyne |
rCCl |
1.638 |
1.740 |
0.102 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
1.977 |
0.155 |
SiF2 |
Silicon difluoride |
rFSi |
1.590 |
1.740 |
0.150 |
HFCO |
formyl fluoride |
rCF |
1.338 |
1.452 |
0.114 |
CCl2 |
dichloromethylene |
rCCl |
1.711 |
1.863 |
0.151 |
C5H10S |
2H-Thiopyran, tetrahydro- |
rCS |
1.811 |
1.919 |
0.108 |
CFCl |
chlorofluoromethylene |
rCCl |
1.714 |
1.867 |
0.153 |
C4H6S |
Thiophene, 2,5-dihydro- |
rCS |
1.816 |
1.930 |
0.114 |
FCO |
Carbonyl fluoride |
rCF |
1.326 |
1.459 |
0.133 |
HCCl |
Chloromethylene |
rCCl |
1.696 |
1.840 |
0.144 |
C2H2ClF |
1-chloro-1-fluoroethylene |
rCCl |
1.704 |
1.809 |
0.104 |
SF6 |
Sulfur Hexafluoride |
rSF |
1.561 |
1.787 |
0.226 |
ClNO |
Nitrosyl chloride |
rNCl |
1.975 |
2.187 |
0.212 |
SO2F2 |
Sulfuryl fluoride |
rFS |
1.530 |
1.834 |
0.304 |
SO2F2 |
Sulfuryl fluoride |
rOS |
1.405 |
1.570 |
0.165 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.085 |
4.286 |
3.201 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
3.514 |
2.427 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.476 |
2.315 |
0.839 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
1.852 |
0.765 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.794 |
0.696 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.783 |
0.685 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.070 |
1.570 |
0.500 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.515 |
1.097 |
-0.418 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.300 |
1.576 |
0.276 |
CH3SO2NH2 |
methanesulfonamide |
rCN |
1.207 |
1.837 |
0.630 |
NHCl2 |
dichloroamine |
rNCl |
1.760 |
1.904 |
0.144 |
CF |
Fluoromethylidyne |
rCF |
1.276 |
1.381 |
0.105 |
CCl |
carbon monochloride |
rCCl |
1.649 |
1.812 |
0.163 |
CBr |
Carbon monobromide |
rCBr |
1.821 |
1.948 |
0.127 |
SiH2Cl2 |
dichlorosilane |
rSiCl |
2.033 |
2.201 |
0.168 |
CH3SSH |
Hydrogen methyl disulfide |
rSS |
2.038 |
2.270 |
0.232 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.803 |
0.112 |
SeO2 |
Selenium dioxide |
rSeO |
1.607 |
1.736 |
0.129 |
SO2 |
Sulfur dioxide |
rSO |
1.432 |
1.641 |
0.209 |
SO3 |
Sulfur trioxide |
rSO |
1.418 |
1.622 |
0.205 |
AlCl3 |
Aluminum trichloride |
rAlCl |
2.060 |
2.188 |
0.128 |
KCl |
Potassium Chloride |
rKCl |
2.667 |
2.903 |
0.236 |
I2 |
Iodine diatomic |
rII |
2.665 |
2.836 |
0.170 |
C2Cl2 |
dichloroacetylene |
rCCl |
1.612 |
1.741 |
0.129 |
HClO4 |
perchloric acid |
rOCl |
1.641 |
1.997 |
0.356 |
HClO4 |
perchloric acid |
rOCl |
1.404 |
1.663 |
0.259 |
HClO4 |
perchloric acid |
rOCl |
1.414 |
1.644 |
0.230 |
ClFO3 |
Perchloryl fluoride |
rFCl |
1.598 |
2.241 |
0.643 |
ClFO3 |
Perchloryl fluoride |
rClO |
1.400 |
1.639 |
0.239 |
NaBr |
Sodium Bromide |
rNaBr |
2.502 |
2.610 |
0.108 |
PF5 |
Phosphorus pentafluoride |
rPF |
1.534 |
1.707 |
0.173 |
PF5 |
Phosphorus pentafluoride |
rFP |
1.577 |
1.725 |
0.148 |
H2SO4 |
Sulfuric acid |
rSO |
1.574 |
1.842 |
0.268 |
H2SO4 |
Sulfuric acid |
rSO |
1.422 |
1.593 |
0.171 |
NaI |
Sodium Iodide |
rNaI |
2.711 |
2.827 |
0.115 |
KH |
Potassium hydride |
rKH |
2.243 |
2.459 |
0.217 |
SOCl2 |
thionyl chloride |
rSCl |
2.076 |
2.448 |
0.372 |
SOCl2 |
thionyl chloride |
rSO |
1.443 |
1.564 |
0.121 |
PCl3 |
Phosphorus trichloride |
rPCl |
2.043 |
2.260 |
0.217 |
Br2 |
Bromine diatomic |
rBrBr |
2.281 |
2.464 |
0.183 |
N2 |
Nitrogen diatomic |
rNN |
1.213 |
1.382 |
0.169 |
KBr |
Potassium Bromide |
rKBr |
2.821 |
3.091 |
0.270 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.345 |
0.137 |
O2- |
oxygen diatomic anion |
rOO |
1.350 |
1.478 |
0.128 |
Cl2+ |
chlorine diatomic cation |
rClCl |
1.892 |
2.190 |
0.298 |
Cl2 |
Chlorine diatomic |
rClCl |
1.988 |
2.219 |
0.231 |
F2O |
Difluorine monoxide |
rFO |
1.405 |
1.511 |
0.106 |
F2SO |
Thionyl Fluoride |
rFS |
1.585 |
1.863 |
0.278 |
F2SO |
Thionyl Fluoride |
rOS |
1.413 |
1.546 |
0.133 |
NF3 |
Nitrogen trifluoride |
rNF |
1.365 |
1.479 |
0.114 |
PF3 |
Phosphorus trifluoride |
rFP |
1.561 |
1.739 |
0.178 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.545 |
1.767 |
0.222 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.646 |
1.838 |
0.192 |
SiF4 |
Silicon tetrafluoride |
rSiF |
1.554 |
1.670 |
0.116 |
AsCl3 |
Arsenous trichloride |
rClAs |
2.166 |
2.330 |
0.164 |
AsF3 |
Arsenic trifluoride |
rAsF |
1.706 |
1.817 |
0.111 |
AsF5 |
Arsenic pentafluoride |
rAsF |
1.656 |
1.782 |
0.126 |
BrF3 |
Bromine trifluoride |
rFBr |
1.721 |
1.889 |
0.168 |
BrF3 |
Bromine trifluoride |
rFBr |
1.810 |
1.962 |
0.152 |
FNO |
Nitrosyl fluoride |
rNF |
1.512 |
1.686 |
0.174 |
FNO3 |
Fluorine nitrate |
rNO |
1.507 |
1.779 |
0.272 |
FNO3 |
Fluorine nitrate |
rFO |
1.409 |
1.522 |
0.113 |
BrF5 |
bromine pentafluoride |
rFBr |
1.689 |
1.914 |
0.225 |
BrF5 |
bromine pentafluoride |
rFBr |
1.774 |
1.952 |
0.178 |
IBr |
Iodine monobromide |
rBrI |
2.469 |
2.644 |
0.175 |
CaBr2 |
Calcium dibromide |
rCaBr |
2.616 |
2.799 |
0.183 |
PBr3 |
Phosphorus tribromide |
rPBr |
2.220 |
2.417 |
0.197 |
SiBr4 |
Silicon tetrabromide |
rSiBr |
2.183 |
2.340 |
0.157 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.963 |
0.266 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.790 |
0.194 |
HOCl |
hypochlorous acid |
rClO |
1.697 |
1.852 |
0.155 |
ICl |
Iodine monochloride |
rClI |
2.321 |
2.506 |
0.185 |
Cl2O |
Dichlorine monoxide |
rClO |
1.696 |
1.884 |
0.188 |
SO2Cl2 |
Sulfuryl chloride |
rSCl |
2.076 |
2.423 |
0.347 |
SO2Cl2 |
Sulfuryl chloride |
rSO |
1.443 |
1.583 |
0.140 |
GeCl |
Germanium monochloride |
rClGe |
2.164 |
2.334 |
0.170 |
FNO2 |
Nitryl fluoride |
rNF |
1.467 |
1.658 |
0.191 |
CaBr |
Calcium monobromide |
rCaBr |
2.594 |
2.844 |
0.251 |
N2O |
Nitrous oxide |
rNN |
1.128 |
1.243 |
0.115 |
ClSSCl |
Disulfur dichloride |
rSS |
1.931 |
2.196 |
0.265 |
ClSSCl |
Disulfur dichloride |
rSCl |
2.057 |
2.276 |
0.219 |
SiHCl3 |
Trichlorosilane |
rSiCl |
2.020 |
2.189 |
0.169 |
NCl3 |
nitrogen trichloride |
rNCl |
1.754 |
1.948 |
0.195 |
Cl3PO |
Phosphoryl chloride |
rPCl |
1.989 |
2.241 |
0.252 |
Cl3PO |
Phosphoryl chloride |
rPO |
1.455 |
1.573 |
0.118 |
SbCl3 |
Antimony Trichloride |
rSbCl |
2.333 |
2.468 |
0.135 |
SiCl4 |
Silane, tetrachloro- |
rSiCl |
2.019 |
2.185 |
0.166 |
PCl5 |
Phosphorus pentachloride |
rPCl |
2.020 |
2.256 |
0.236 |
PCl5 |
Phosphorus pentachloride |
rPCl |
2.124 |
2.352 |
0.228 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.712 |
0.242 |
GeCl2 |
Germanium dichloride |
rClGe |
2.186 |
2.322 |
0.136 |
SiO |
Silicon monoxide |
rSiO |
1.510 |
1.627 |
0.117 |
NO+ |
nitric oxide cation |
rNO |
1.066 |
1.174 |
0.108 |
S8 |
Octasulfur |
rSS |
2.059 |
2.273 |
0.214 |
N2O4 |
Dinitrogen tetroxide |
rNN |
1.782 |
1.993 |
0.211 |
N2O3 |
Dinitrogen trioxide |
rNN |
1.864 |
2.237 |
0.373 |
N2O3 |
Dinitrogen trioxide |
rNO |
1.142 |
1.257 |
0.115 |
SCl2 |
Sulfur dichloride |
rSCl |
2.013 |
2.245 |
0.232 |
SiF |
silicon monofluoride |
rSiF |
1.604 |
1.763 |
0.158 |
SiF+ |
silicon monofluoride cation |
rFSi |
1.527 |
1.678 |
0.151 |
GeS |
Germanium monosulfide |
rSGe |
2.012 |
2.132 |
0.120 |
LiK |
Lithium Potassium |
rLiK |
3.270 |
3.519 |
0.249 |
NS+ |
nitrogen sulfide cation |
rNS |
1.440 |
1.633 |
0.193 |
NaK |
Sodium Potassium |
rNaK |
3.589 |
3.720 |
0.131 |
FO |
Oxygen monofluoride |
rFO |
1.354 |
1.521 |
0.167 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.274 |
-0.176 |
GeSe |
Germanium monoselenide |
rGeSe |
2.135 |
2.249 |
0.114 |
SiC2 |
Silicon dicarbide |
rCSi |
1.836 |
1.947 |
0.111 |
SiP |
Silicon monophosphide |
rSiP |
2.078 |
2.241 |
0.164 |
PO2 |
Phosphorus dioxide |
rPO |
1.467 |
1.604 |
0.137 |
P2 |
Phosphorus diatomic |
rPP |
1.893 |
2.096 |
0.203 |
P4 |
Phosphorus tetramer |
rPP |
2.210 |
2.461 |
0.251 |
Se2 |
Selenium diatomic |
rSeSe |
2.166 |
2.351 |
0.185 |
As4 |
Arsenic tetramer |
rAsAs |
2.435 |
2.625 |
0.190 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.760 |
0.149 |
SiSe |
Silicon Monoselenide |
rSiSe |
2.058 |
2.195 |
0.136 |
PS |
phosphorus sulfide |
rPS |
1.900 |
2.102 |
0.202 |
ClOOCl |
Dichlorine dioxide |
rOCl |
1.704 |
1.910 |
0.206 |
NaLi |
lithium sodium |
rLiNa |
2.889 |
2.999 |
0.110 |
SiS |
silicon monosulfide |
rSiS |
1.929 |
2.074 |
0.145 |
Ar2 |
Argon diatomic |
rArAr |
3.758 |
4.763 |
1.005 |
Ar2+ |
Argon diatomic cation |
rArAr |
2.320 |
2.626 |
0.306 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.149 |
0.232 |
Si2 |
Silicon diatomic |
rSiSi |
2.246 |
2.413 |
0.167 |
BrNO |
Nitrosyl bromide |
rNBr |
2.140 |
2.316 |
0.176 |
ClNO2 |
Nitryl chloride |
rNCl |
1.840 |
2.026 |
0.186 |
P2H4 |
Diphosphine |
rPP |
2.219 |
2.373 |
0.154 |
H2S2 |
Disulfane |
rSS |
2.056 |
2.275 |
0.219 |
SeF4 |
Selenium tetrafluoride |
rFSe |
1.682 |
1.838 |
0.156 |
SeF4 |
Selenium tetrafluoride |
rFSe |
1.771 |
1.896 |
0.125 |
SiHF3 |
trifluorosilane |
rSiF |
1.563 |
1.690 |
0.127 |
SiH3Br |
bromosilane |
rSiBr |
2.210 |
2.362 |
0.152 |
SiH3Cl |
chlorosilane |
rSiCl |
2.051 |
2.221 |
0.171 |
SiI4 |
silicon tetraiodide |
rSiI |
2.432 |
2.562 |
0.130 |
F3PO |
Phosphoryl fluoride |
rFP |
1.524 |
1.710 |
0.186 |
F3PO |
Phosphoryl fluoride |
rPO |
1.436 |
1.550 |
0.114 |
HOBr |
Hypobromous acid |
rBrO |
1.834 |
1.959 |
0.125 |
SiH3F |
monofluorosilane |
rSiF |
1.595 |
1.738 |
0.143 |
SiCl2 |
Dichlorosilylene |
rSiCl |
2.076 |
2.263 |
0.187 |
HSiBr |
monobromosilylene |
rSiBr |
2.237 |
2.414 |
0.177 |
AlCl |
Aluminum monochloride |
rAlCl |
2.130 |
2.320 |
0.190 |
AlF |
Aluminum monofluoride |
rAlF |
1.654 |
1.768 |
0.114 |
FSSF |
Difluorodisulfane |
rSS |
1.890 |
2.157 |
0.267 |
FSSF |
Difluorodisulfane |
rFS |
1.635 |
1.813 |
0.178 |
XeF2 |
Xenon difluoride |
rFXe |
1.974 |
2.138 |
0.164 |
SOF4 |
Sulfur tetrafluoride oxide |
rFS |
1.539 |
1.826 |
0.287 |
SOF4 |
Sulfur tetrafluoride oxide |
rFS |
1.596 |
1.822 |
0.226 |
SOF4 |
Sulfur tetrafluoride oxide |
rSO |
1.409 |
1.551 |
0.142 |
XeF4 |
Xenon tetrafluoride |
rFXe |
1.935 |
2.164 |
0.229 |
SF5Cl |
sulfur chloropentafluoride |
rSCl |
2.030 |
2.314 |
0.284 |
SF5Cl |
sulfur chloropentafluoride |
rFS |
1.576 |
1.801 |
0.225 |
N2F2 |
(Z)-Difluorodiazene |
rNF |
1.384 |
1.512 |
0.128 |
SF2 |
sulfur difluoride |
rSF |
1.587 |
1.777 |
0.190 |
HPO |
Hydrogen phosphorus oxide |
rPO |
1.512 |
1.662 |
0.150 |
SiH2F2 |
difluorosilane |
rSiF |
1.576 |
1.714 |
0.138 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.767 |
0.266 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.633 |
0.152 |
SO+ |
sulfur monoxide cation |
rOS |
1.424 |
1.539 |
0.115 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.040 |
2.432 |
0.392 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.273 |
0.929 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.272 |
0.219 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.273 |
0.219 |
F3NO |
Nitrogen trifluoride oxide |
rNF |
1.431 |
1.569 |
0.138 |
BrCl |
Bromine monochloride |
rClBr |
2.136 |
2.336 |
0.200 |
BrF |
Bromine monofluoride |
rFBr |
1.759 |
1.898 |
0.139 |
PF2 |
Phosphorus difluoride |
rPF |
1.579 |
1.756 |
0.177 |
IF |
Iodine monofluoride |
rFI |
1.910 |
2.025 |
0.115 |
HSiCl |
Chlorosilylene |
rSiCl |
2.067 |
2.271 |
0.204 |
SiCl |
Clorosilylidyne |
rSiCl |
2.061 |
2.272 |
0.211 |
NBr |
nitrogen monobromide |
rNBr |
1.765 |
1.873 |
0.108 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.828 |
0.109 |
HNO |
Nitrosyl hydride |
rNO |
1.209 |
1.317 |
0.108 |
Li2 |
Lithium diatomic |
rLiLi |
2.673 |
2.782 |
0.109 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
4.726 |
2.266 |
PO- |
phosphorus monoxide anion |
rOP |
1.540 |
1.716 |
0.176 |
CaH |
Calcium monohydride |
rCaH |
2.003 |
2.171 |
0.169 |
SeCl2 |
Selenium Dichloride |
rClSe |
2.157 |
2.338 |
0.181 |
SiBr |
Silicon monobromide |
rSiBr |
2.209 |
2.411 |
0.202 |
SiBr+ |
Silicon monobromide cation |
rSiBr |
2.095 |
2.261 |
0.166 |
SiF3 |
Silicon trifluoride radical |
rFSi |
1.565 |
1.707 |
0.142 |
MgCl |
magnesium monochloride |
rMgCl |
2.199 |
2.334 |
0.135 |
SCl |
sulfur monochloride |
rSCl |
1.975 |
2.161 |
0.185 |
AsF |
Arsenic monofluoride |
rFAs |
1.736 |
1.856 |
0.120 |
CaCl |
calcium monochloride |
rClCa |
2.437 |
2.662 |
0.225 |
PF |
phosphorus monofluoride |
rFP |
1.593 |
1.773 |
0.181 |
PF+ |
phosphorus monofluoride cation |
rFP |
1.500 |
1.679 |
0.179 |
SF |
Monosulfur monofluoride |
rSF |
1.599 |
1.756 |
0.156 |
C3H5Cl |
1-chloro-1-propene(Z) |
rCCl |
1.735 |
1.840 |
0.105 |
C3H5Cl |
1-chloro-1-propene(E) |
rCCl |
1.728 |
1.837 |
0.109 |
PCl |
phosphorus chloride |
rPCl |
2.018 |
2.235 |
0.218 |
PN |
Phosphorus mononitride |
rPN |
1.491 |
1.653 |
0.163 |
FSN |
Thiazyl fluoride |
rFS |
1.643 |
2.027 |
0.384 |
BH3PH3 |
borane phosphine |
rBP |
1.937 |
2.089 |
0.152 |
BBr |
Boron monobromide |
rBBr |
1.888 |
1.999 |
0.111 |
CaS |
Calcium sulfide |
rSCa |
2.318 |
2.608 |
0.291 |
BCl |
boron monochloride |
rBCl |
1.719 |
1.839 |
0.120 |
SSO |
Disulfur monoxide |
rSS |
1.884 |
2.129 |
0.245 |
SSO |
Disulfur monoxide |
rSO |
1.456 |
1.656 |
0.200 |
OPCl |
Phosphorus oxychloride |
rPCl |
2.059 |
2.326 |
0.268 |
OPCl |
Phosphorus oxychloride |
rPO |
1.462 |
1.610 |
0.148 |
AlBr |
Aluminum monobromide |
rAlBr |
2.295 |
2.476 |
0.181 |
S2+ |
sulfur diatomic cation |
rSS |
1.825 |
2.163 |
0.338 |
S2 |
Sulfur diatomic |
rSS |
1.889 |
2.127 |
0.238 |
As2 |
Arsenic diatomic |
rAsAs |
2.103 |
2.283 |
0.181 |
AlN |
Aluminum nitride |
rNAl |
1.786 |
1.904 |
0.118 |
S2N2 |
Disulfur dinitride |
rNS |
1.642 |
1.939 |
0.297 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
3.213 |
0.134 |
K2 |
Potassium diatomic |
rKK |
3.905 |
4.426 |
0.520 |
AsN |
Arsenic mononitride |
rNAs |
1.618 |
1.791 |
0.173 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
5.234 |
1.343 |
AlI |
Aluminum monoiodide |
rAlI |
2.537 |
2.705 |
0.167 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.831 |
0.130 |
C5H6 |
Propellane |
rCC |
1.596 |
1.735 |
0.139 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.377 |
0.161 |
AlC |
Aluminum carbide |
rCAl |
1.955 |
2.062 |
0.107 |
ClS2 |
Sulfur chloride |
rSS |
1.906 |
2.142 |
0.236 |
ClS2 |
Sulfur chloride |
rSCl |
2.071 |
2.222 |
0.151 |
HOSH |
hydrogen thioperoxide |
rSO |
1.662 |
1.840 |
0.179 |
SFCl |
Sulfur chloride fluoride |
rSCl |
1.994 |
2.225 |
0.231 |
SFCl |
Sulfur chloride fluoride |
rFS |
1.606 |
1.793 |
0.187 |
CaC |
Calcium monocarbide |
rCCa |
2.302 |
2.496 |
0.194 |
NaS |
Sodium sulfide |
rNaS |
2.489 |
2.590 |
0.102 |
310 molecules.