Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
CH3SOCH3 |
Dimethyl sulfoxide |
rCS |
1.799 |
1.957 |
0.158 |
CH3SOCH3 |
Dimethyl sulfoxide |
rSO |
1.485 |
1.638 |
0.153 |
C2H6O2S |
Dimethyl sulfone |
rSO |
1.431 |
1.601 |
0.170 |
C2H6O2S |
Dimethyl sulfone |
rCS |
1.777 |
1.917 |
0.140 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
rCCl |
1.767 |
1.871 |
0.104 |
CH3Cl |
Methyl chloride |
rCCl |
1.785 |
1.897 |
0.112 |
CH2BrCl |
Methane, bromochloro- |
rCCl |
1.755 |
1.887 |
0.132 |
CH3CH2Cl |
Ethyl chloride |
rCCl |
1.789 |
1.915 |
0.126 |
C2H3Cl |
Ethene, chloro- |
rCCl |
1.726 |
1.839 |
0.113 |
CH3CH2SH |
ethanethiol |
rCS |
1.820 |
1.921 |
0.101 |
CH2Cl2 |
Methylene chloride |
rCCl |
1.767 |
1.871 |
0.104 |
CH3CHClCH3 |
Propane, 2-chloro- |
rCCl |
1.798 |
1.928 |
0.130 |
CH3CHCl2 |
Ethane, 1,1-dichloro- |
rCCl |
1.766 |
1.885 |
0.119 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
rCCl |
1.710 |
1.813 |
0.103 |
CH3COCl |
Acetyl Chloride |
rCCl |
1.798 |
1.980 |
0.182 |
CCl2O |
Phosgene |
rCCl |
1.737 |
1.866 |
0.130 |
CHF2Cl |
difluorochloromethane |
rCCl |
1.747 |
1.939 |
0.192 |
CBrCl3 |
Methane, bromotrichloro- |
rCCl |
1.765 |
1.869 |
0.104 |
CFCl3 |
Trichloromonofluoromethane |
rCCl |
1.764 |
1.872 |
0.109 |
CF2Cl2 |
difluorodichloromethane |
rCCl |
1.744 |
1.891 |
0.147 |
CF3Cl |
Methane, chlorotrifluoro- |
rCCl |
1.752 |
1.910 |
0.158 |
SiCl3CH3 |
methyltrichlorosilane |
rSiCl |
2.026 |
2.163 |
0.137 |
CH3CHClCH2CH3 |
Butane, 2-chloro- |
rCCl |
1.781 |
1.930 |
0.149 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
rCCl |
1.793 |
1.913 |
0.120 |
CH2ClCHCl2 |
1,1,2-trichloroethane |
rCCl |
1.776 |
1.892 |
0.116 |
ClCOClCO |
Oxalyl chloride |
rCCl |
1.744 |
1.888 |
0.144 |
C3H5Cl3 |
Propane, 1,2,3-trichloro- |
rCCl |
1.790 |
1.930 |
0.140 |
C3H5ClO |
Oxirane, (chloromethyl)- |
rCCl |
1.798 |
1.916 |
0.118 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
rCCl |
1.790 |
1.910 |
0.120 |
CH2ClCHO |
chloroacetaldehyde |
rCCl |
1.782 |
1.898 |
0.116 |
C6H5Cl |
chlorobenzene |
rCCl |
1.725 |
1.834 |
0.109 |
CH2ClCH2CH2CH3 |
Butane, 1-chloro- |
rCCl |
1.780 |
1.914 |
0.134 |
CH2CClCHCH2 |
1,3-Butadiene, 2-chloro- |
rCCl |
1.742 |
1.854 |
0.112 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
rCCl |
1.718 |
1.826 |
0.108 |
C3H6S |
Thietane |
rCS |
1.847 |
1.948 |
0.101 |
C3H3NO |
Isoxazole |
rCH |
1.075 |
1.434 |
0.359 |
C2H2N2O |
Furazan |
rNO |
1.373 |
1.477 |
0.104 |
C2H4O3 |
trioxolane124 |
rCN |
1.303 |
2.264 |
0.961 |
CBrClF2 |
Methane, bromochlorodifluoro- |
rCCl |
1.736 |
1.914 |
0.179 |
CH2BrF |
Methane, bromofluoro- |
rCBr |
1.915 |
2.031 |
0.116 |
CH2FI |
fluoroiodomethane |
rCI |
2.140 |
2.257 |
0.117 |
C2H4S |
Thiirane |
rCS |
1.815 |
1.940 |
0.125 |
CH3CCl(CH3)CH3 |
Propane, 2-chloro-2-methyl- |
rCCl |
1.803 |
1.938 |
0.135 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.917 |
0.121 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
rCCl |
1.796 |
1.912 |
0.116 |
CH2SHCH2SH |
1,2-Ethanedithiol |
rCS |
1.819 |
1.920 |
0.101 |
CH3CH(CH3)ONO |
Isopropyl nitrite |
rON |
1.414 |
1.564 |
0.150 |
C4H10O |
Methyl propyl ether |
rCC |
1.530 |
1.105 |
-0.425 |
C4H10O |
Methyl propyl ether |
rCH |
1.099 |
1.461 |
0.362 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
rCCl |
1.813 |
1.943 |
0.130 |
CH2FCl |
fluorochloromethane |
rCCl |
1.762 |
1.931 |
0.169 |
CH2ClI |
chloroiodomethane |
rCCl |
1.774 |
1.888 |
0.114 |
CH3OCl |
methyl hypochlorite |
rOCl |
1.674 |
1.861 |
0.187 |
CHFClBr |
fluorochlorobromomethane |
rCCl |
1.745 |
1.911 |
0.166 |
CH3NO3 |
Methyl nitrate |
rNO |
1.402 |
1.537 |
0.135 |
CH3SCH2CH3 |
Ethane, (methylthio)- |
rCS |
1.804 |
1.910 |
0.106 |
CH3ONO |
Methyl nitrite |
rNO |
1.398 |
1.531 |
0.133 |
CH3SSCH3 |
Disulfide, dimethyl |
rSS |
2.038 |
2.272 |
0.234 |
C2H5NO3 |
Nitric acid, ethyl ester |
rNO |
1.407 |
1.533 |
0.126 |
CH2CHCH2CH2Cl |
1-Butene, 4-chloro- |
rCCl |
1.794 |
1.916 |
0.122 |
CH2ClCCCl |
1,3-dichloropropyne |
rCCl |
1.779 |
1.930 |
0.152 |
GaAs |
Gallium arsenide |
rGaAs |
2.530 |
2.373 |
-0.157 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
2.122 |
0.300 |
CCl2 |
dichloromethylene |
rCCl |
1.711 |
1.895 |
0.183 |
CFCl |
chlorofluoromethylene |
rCCl |
1.714 |
1.970 |
0.256 |
C4H6S |
Thiophene, 2,5-dihydro- |
rCS |
1.816 |
1.921 |
0.105 |
HCCl |
Chloromethylene |
rCCl |
1.696 |
1.879 |
0.183 |
C2H2ClF |
1-chloro-1-fluoroethylene |
rCCl |
1.704 |
1.840 |
0.136 |
SF6 |
Sulfur Hexafluoride |
rSF |
1.561 |
1.691 |
0.130 |
ClNO |
Nitrosyl chloride |
rNCl |
1.975 |
2.094 |
0.119 |
SO2F2 |
Sulfuryl fluoride |
rFS |
1.530 |
1.710 |
0.180 |
SO2F2 |
Sulfuryl fluoride |
rOS |
1.405 |
1.563 |
0.158 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.085 |
4.237 |
3.152 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
3.452 |
2.365 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.476 |
2.286 |
0.810 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
1.853 |
0.766 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.798 |
0.700 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.779 |
0.681 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.070 |
1.541 |
0.471 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.515 |
1.098 |
-0.417 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.300 |
1.540 |
0.240 |
CH3SO2NH2 |
methanesulfonamide |
rCN |
1.207 |
1.860 |
0.653 |
HO2 |
Hydroperoxy radical |
rOO |
1.331 |
1.432 |
0.101 |
OH- |
hydroxide anion |
rOH |
0.964 |
1.071 |
0.107 |
NHCl2 |
dichloroamine |
rNCl |
1.760 |
1.922 |
0.162 |
CCl |
carbon monochloride |
rCCl |
1.649 |
1.837 |
0.188 |
CBr |
Carbon monobromide |
rCBr |
1.821 |
1.952 |
0.131 |
SiH2Cl2 |
dichlorosilane |
rSiCl |
2.033 |
2.173 |
0.140 |
C4H5NO |
Isoxazole, 5-methyl- |
rNO |
1.403 |
1.504 |
0.101 |
CH3SSH |
Hydrogen methyl disulfide |
rSS |
2.038 |
2.284 |
0.246 |
CH2Cl |
chloromethyl radical |
rCCl |
1.691 |
1.804 |
0.113 |
SO2 |
Sulfur dioxide |
rSO |
1.432 |
1.605 |
0.173 |
SO3 |
Sulfur trioxide |
rSO |
1.418 |
1.594 |
0.177 |
AlCl3 |
Aluminum trichloride |
rAlCl |
2.060 |
2.169 |
0.109 |
KCl |
Potassium Chloride |
rKCl |
2.667 |
2.793 |
0.126 |
I2 |
Iodine diatomic |
rII |
2.665 |
2.901 |
0.235 |
HClO4 |
perchloric acid |
rOCl |
1.641 |
1.966 |
0.325 |
HClO4 |
perchloric acid |
rOCl |
1.404 |
1.664 |
0.260 |
HClO4 |
perchloric acid |
rOCl |
1.414 |
1.656 |
0.242 |
PF5 |
Phosphorus pentafluoride |
rPF |
1.534 |
1.634 |
0.100 |
H2SO4 |
Sulfuric acid |
rOH |
0.970 |
3.336 |
2.366 |
H2SO4 |
Sulfuric acid |
rSO |
1.574 |
1.761 |
0.187 |
H2SO4 |
Sulfuric acid |
rSO |
1.422 |
1.581 |
0.159 |
HNO3 |
Nitric acid |
rNO |
1.406 |
1.521 |
0.115 |
SOCl2 |
thionyl chloride |
rSCl |
2.076 |
2.394 |
0.318 |
SOCl2 |
thionyl chloride |
rSO |
1.443 |
1.589 |
0.146 |
PCl3 |
Phosphorus trichloride |
rPCl |
2.043 |
2.260 |
0.217 |
Br2 |
Bromine diatomic |
rBrBr |
2.281 |
2.477 |
0.196 |
KBr |
Potassium Bromide |
rKBr |
2.821 |
2.966 |
0.146 |
CuCl |
Copper monochloride |
rCuCl |
2.051 |
2.371 |
0.320 |
O2 |
Oxygen diatomic |
rOO |
1.208 |
1.321 |
0.113 |
O2+ |
diatomic oxygen cation |
rOO |
1.116 |
1.225 |
0.109 |
Cl2+ |
chlorine diatomic cation |
rClCl |
1.892 |
2.179 |
0.288 |
Cl2 |
Chlorine diatomic |
rClCl |
1.988 |
2.236 |
0.248 |
HNO2 |
Nitrous acid |
rNO |
1.442 |
1.555 |
0.113 |
F2SO |
Thionyl Fluoride |
rFS |
1.585 |
1.746 |
0.160 |
F2SO |
Thionyl Fluoride |
rOS |
1.413 |
1.570 |
0.157 |
NF3 |
Nitrogen trifluoride |
rNF |
1.365 |
1.477 |
0.112 |
PF3 |
Phosphorus trifluoride |
rFP |
1.561 |
1.668 |
0.107 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.545 |
1.707 |
0.162 |
SF4 |
Sulfur tetrafluoride |
rSF |
1.646 |
1.760 |
0.114 |
AsCl3 |
Arsenous trichloride |
rClAs |
2.166 |
2.313 |
0.148 |
BrF3 |
Bromine trifluoride |
rFBr |
1.721 |
1.873 |
0.152 |
BrF3 |
Bromine trifluoride |
rFBr |
1.810 |
1.920 |
0.110 |
KF |
Potassium Fluoride |
rKF |
2.171 |
2.292 |
0.121 |
FNO3 |
Fluorine nitrate |
rNO |
1.507 |
1.638 |
0.131 |
BrF5 |
bromine pentafluoride |
rFBr |
1.689 |
1.839 |
0.150 |
BrF5 |
bromine pentafluoride |
rFBr |
1.774 |
1.883 |
0.109 |
IBr |
Iodine monobromide |
rBrI |
2.469 |
2.680 |
0.211 |
CaBr2 |
Calcium dibromide |
rCaBr |
2.616 |
2.820 |
0.204 |
PBr3 |
Phosphorus tribromide |
rPBr |
2.220 |
2.418 |
0.197 |
SiBr4 |
Silicon tetrabromide |
rSiBr |
2.183 |
2.314 |
0.131 |
ClF |
Chlorine monofluoride |
rFCl |
1.628 |
1.768 |
0.140 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.597 |
1.840 |
0.243 |
ClF3 |
Chlorine trifluoride |
rFCl |
1.697 |
1.881 |
0.184 |
HOCl |
hypochlorous acid |
rClO |
1.697 |
1.849 |
0.151 |
ICl |
Iodine monochloride |
rClI |
2.321 |
2.527 |
0.206 |
Cl2O |
Dichlorine monoxide |
rClO |
1.696 |
1.850 |
0.155 |
SO2Cl2 |
Sulfuryl chloride |
rSCl |
2.076 |
2.400 |
0.324 |
SO2Cl2 |
Sulfuryl chloride |
rSO |
1.443 |
1.585 |
0.142 |
He2+ |
helium diatomic cation |
rHeHe |
1.081 |
1.276 |
0.195 |
GeCl |
Germanium monochloride |
rClGe |
2.164 |
2.279 |
0.115 |
CaBr |
Calcium monobromide |
rCaBr |
2.594 |
2.855 |
0.261 |
ClSSCl |
Disulfur dichloride |
rSCl |
2.057 |
2.329 |
0.272 |
ClSSCl |
Disulfur dichloride |
rSS |
1.931 |
2.138 |
0.207 |
SiHCl3 |
Trichlorosilane |
rSiCl |
2.020 |
2.156 |
0.136 |
NCl3 |
nitrogen trichloride |
rNCl |
1.754 |
1.931 |
0.177 |
Cl3PO |
Phosphoryl chloride |
rPCl |
1.989 |
2.232 |
0.243 |
Cl3PO |
Phosphoryl chloride |
rPO |
1.455 |
1.568 |
0.113 |
SbCl3 |
Antimony Trichloride |
rSbCl |
2.333 |
2.474 |
0.141 |
SiCl4 |
Silane, tetrachloro- |
rSiCl |
2.019 |
2.145 |
0.126 |
PCl5 |
Phosphorus pentachloride |
rPCl |
2.020 |
2.242 |
0.222 |
PCl5 |
Phosphorus pentachloride |
rPCl |
2.124 |
2.330 |
0.206 |
O3 |
Ozone |
rOO |
1.278 |
1.386 |
0.108 |
OClO |
Chlorine dioxide |
rClO |
1.470 |
1.729 |
0.259 |
NO- |
nitric oxide anion |
rNO |
1.258 |
1.362 |
0.104 |
SCl2 |
Sulfur dichloride |
rSCl |
2.013 |
2.258 |
0.245 |
SiF+ |
silicon monofluoride cation |
rFSi |
1.527 |
1.627 |
0.101 |
GeS |
Germanium monosulfide |
rSGe |
2.012 |
2.114 |
0.102 |
LiK |
Lithium Potassium |
rLiK |
3.270 |
3.405 |
0.135 |
NS |
Mononitrogen monosulfide |
rNS |
1.497 |
1.620 |
0.123 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.307 |
-0.143 |
SiP |
Silicon monophosphide |
rSiP |
2.078 |
2.190 |
0.112 |
CaOH |
Calcium monohydroxide |
rOCa |
1.976 |
2.085 |
0.109 |
Ne2 |
Neon diatomic |
rNeNe |
3.100 |
3.252 |
0.152 |
P4 |
Phosphorus tetramer |
rPP |
2.210 |
2.442 |
0.232 |
Se2 |
Selenium diatomic |
rSeSe |
2.166 |
2.329 |
0.163 |
As4 |
Arsenic tetramer |
rAsAs |
2.435 |
2.602 |
0.167 |
NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.815 |
0.204 |
SiSe |
Silicon Monoselenide |
rSiSe |
2.058 |
2.163 |
0.105 |
PS |
phosphorus sulfide |
rPS |
1.900 |
2.048 |
0.148 |
ClOOCl |
Dichlorine dioxide |
rOCl |
1.704 |
1.965 |
0.261 |
SiS |
silicon monosulfide |
rSiS |
1.929 |
2.040 |
0.111 |
Ar2+ |
Argon diatomic cation |
rArAr |
2.320 |
2.709 |
0.389 |
Ar2 |
Argon diatomic |
rArAr |
3.758 |
3.584 |
-0.174 |
S3 |
Sulfur trimer |
rSS |
1.917 |
2.144 |
0.227 |
ClNO2 |
Nitryl chloride |
rNCl |
1.840 |
2.038 |
0.198 |
P2H4 |
Diphosphine |
rPP |
2.219 |
2.401 |
0.182 |
TeO |
Tellurium monoxide |
rOTe |
1.825 |
1.936 |
0.111 |
H2S2 |
Disulfane |
rSS |
2.056 |
2.294 |
0.237 |
SiH3Br |
bromosilane |
rSiBr |
2.210 |
2.347 |
0.137 |
SiH3Cl |
chlorosilane |
rSiCl |
2.051 |
2.195 |
0.145 |
SiI4 |
silicon tetraiodide |
rSiI |
2.432 |
2.569 |
0.137 |
F3PO |
Phosphoryl fluoride |
rFP |
1.524 |
1.635 |
0.111 |
F3PO |
Phosphoryl fluoride |
rPO |
1.436 |
1.543 |
0.107 |
CuF |
Copper monofluoride |
rCuF |
1.745 |
1.596 |
-0.149 |
CuH |
Copper monohydride |
rCuH |
1.463 |
1.798 |
0.335 |
SiCl2 |
Dichlorosilylene |
rSiCl |
2.076 |
2.236 |
0.160 |
HSiBr |
monobromosilylene |
rSiBr |
2.237 |
2.399 |
0.162 |
AlCl |
Aluminum monochloride |
rAlCl |
2.130 |
2.274 |
0.144 |
ClF5 |
chlorinepentafluoride |
rFCl |
1.650 |
1.847 |
0.197 |
FSSF |
Difluorodisulfane |
rSS |
1.890 |
2.208 |
0.318 |
FSSF |
Difluorodisulfane |
rFS |
1.635 |
1.751 |
0.116 |
XeF2 |
Xenon difluoride |
rFXe |
1.974 |
2.176 |
0.202 |
SOF4 |
Sulfur tetrafluoride oxide |
rFS |
1.539 |
1.701 |
0.162 |
SOF4 |
Sulfur tetrafluoride oxide |
rSO |
1.409 |
1.556 |
0.147 |
SOF4 |
Sulfur tetrafluoride oxide |
rFS |
1.596 |
1.722 |
0.126 |
XeF4 |
Xenon tetrafluoride |
rFXe |
1.935 |
2.109 |
0.174 |
KrF2 |
Krypton difluoride |
rFKr |
1.875 |
2.053 |
0.178 |
SF5Cl |
sulfur chloropentafluoride |
rSCl |
2.030 |
2.390 |
0.360 |
SF5Cl |
sulfur chloropentafluoride |
rFS |
1.576 |
1.706 |
0.130 |
SF2 |
sulfur difluoride |
rSF |
1.587 |
1.722 |
0.135 |
CaF |
Calcium monofluoride |
rFCa |
1.967 |
2.124 |
0.157 |
SO |
Sulfur monoxide |
rSO |
1.481 |
1.642 |
0.161 |
SO |
Sulfur monoxide |
rOS |
1.500 |
1.644 |
0.144 |
SO+ |
sulfur monoxide cation |
rOS |
1.424 |
1.567 |
0.143 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.040 |
2.385 |
0.345 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.284 |
0.941 |
HSSSH |
trisulfane |
rSS |
2.053 |
2.284 |
0.231 |
HSSSH |
trisulfane |
rSS |
2.054 |
2.284 |
0.230 |
BrCl |
Bromine monochloride |
rClBr |
2.136 |
2.353 |
0.217 |
BrF |
Bromine monofluoride |
rFBr |
1.759 |
1.859 |
0.100 |
PF2 |
Phosphorus difluoride |
rPF |
1.579 |
1.685 |
0.106 |
IF |
Iodine monofluoride |
rFI |
1.910 |
2.021 |
0.111 |
HSiCl |
Chlorosilylene |
rSiCl |
2.067 |
2.243 |
0.176 |
SiCl |
Clorosilylidyne |
rSiCl |
2.061 |
2.232 |
0.171 |
NBr |
nitrogen monobromide |
rNBr |
1.765 |
1.901 |
0.136 |
NH2SH |
Thiohydroxylamine |
rNS |
1.719 |
1.850 |
0.131 |
HOI |
Hypoiodous acid |
rOI |
1.994 |
2.108 |
0.114 |
PO- |
phosphorus monoxide anion |
rOP |
1.540 |
1.686 |
0.146 |
PO |
Phosphorus monoxide |
rPO |
1.476 |
1.595 |
0.120 |
CaH |
Calcium monohydride |
rCaH |
2.003 |
2.192 |
0.190 |
SeCl2 |
Selenium Dichloride |
rClSe |
2.157 |
2.341 |
0.184 |
IO |
Iodine monoxide |
rIO |
1.868 |
2.029 |
0.161 |
SiBr |
Silicon monobromide |
rSiBr |
2.209 |
2.384 |
0.175 |
SiBr+ |
Silicon monobromide cation |
rSiBr |
2.095 |
2.257 |
0.161 |
ClO |
Monochlorine monoxide |
rClO |
1.596 |
1.766 |
0.170 |
SCl |
sulfur monochloride |
rSCl |
1.975 |
2.218 |
0.243 |
CaCl |
calcium monochloride |
rClCa |
2.437 |
2.683 |
0.247 |
BrO |
Bromine monoxide |
rOBr |
1.718 |
1.845 |
0.128 |
BrO+ |
Bromine monoxide cation |
rOBr |
1.635 |
1.749 |
0.114 |
PF+ |
phosphorus monofluoride cation |
rFP |
1.500 |
1.629 |
0.129 |
SF |
Monosulfur monofluoride |
rSF |
1.599 |
1.720 |
0.121 |
C3H5Cl |
1-chloro-1-propene(Z) |
rCCl |
1.735 |
1.844 |
0.109 |
C3H5Cl |
1-chloro-1-propene(E) |
rCCl |
1.728 |
1.839 |
0.111 |
FSN |
Thiazyl fluoride |
rFS |
1.643 |
1.807 |
0.164 |
FSN |
Thiazyl fluoride |
rNS |
1.448 |
1.568 |
0.120 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.737 |
0.582 |
S4 |
Sulfur tetramer |
rSS |
1.898 |
2.093 |
0.195 |
CaS |
Calcium sulfide |
rSCa |
2.318 |
2.619 |
0.302 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.296 |
-0.104 |
SSO |
Disulfur monoxide |
rSS |
1.884 |
2.154 |
0.270 |
SSO |
Disulfur monoxide |
rSO |
1.456 |
1.622 |
0.166 |
OPCl |
Phosphorus oxychloride |
rPCl |
2.059 |
2.330 |
0.271 |
OPCl |
Phosphorus oxychloride |
rPO |
1.462 |
1.570 |
0.108 |
AlBr |
Aluminum monobromide |
rAlBr |
2.295 |
2.416 |
0.121 |
S2 |
Sulfur diatomic |
rSS |
1.889 |
2.095 |
0.206 |
S2+ |
sulfur diatomic cation |
rSS |
1.825 |
2.008 |
0.183 |
S2N2 |
Disulfur dinitride |
rNS |
1.642 |
1.840 |
0.198 |
K2 |
Potassium diatomic |
rKK |
3.905 |
4.032 |
0.127 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
3.492 |
-0.398 |
AlI |
Aluminum monoiodide |
rAlI |
2.537 |
2.679 |
0.142 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.603 |
1.886 |
0.283 |
ClOF3 |
Chlorine trifluoride oxide |
rOCl |
1.405 |
1.643 |
0.238 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.713 |
1.912 |
0.199 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.524 |
-0.177 |
Si2H2 |
disilyne |
rSiSi |
2.215 |
2.335 |
0.120 |
HOSH |
hydrogen thioperoxide |
rSO |
1.662 |
1.809 |
0.147 |
SFCl |
Sulfur chloride fluoride |
rSCl |
1.994 |
2.282 |
0.288 |
SFCl |
Sulfur chloride fluoride |
rFS |
1.606 |
1.720 |
0.114 |
CaC |
Calcium monocarbide |
rCCa |
2.302 |
2.501 |
0.200 |
ZnCN |
Zinc monocyanide |
rCZn |
1.950 |
1.803 |
-0.146 |
262 molecules.