| Species |
Name |
Bond type |
Bond Length (Å) |
| Experimental |
Calculated |
Difference |
| Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
4.532 |
0.641 |
| Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.053 |
-0.407 |
| Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
3.026 |
0.324 |
| Na2+ |
sodium dimer cation |
rNaNa |
3.540 |
3.723 |
0.183 |
| ClF+ |
clorine monofluoride cation |
rFCl |
1.448 |
1.595 |
0.147 |
| Na2 |
Sodium diatomic |
rNaNa |
3.079 |
3.203 |
0.125 |
| Ne2 |
Neon dimer |
rNeNe |
3.100 |
3.215 |
0.115 |
| Si2 |
Silicon diatomic |
rSiSi |
2.246 |
2.133 |
-0.113 |
| C2 |
Carbon diatomic |
rCC |
1.243 |
1.341 |
0.099 |
| SO2F2 |
Sulfuryl fluoride |
rFS |
1.530 |
1.611 |
0.081 |
| AlCl |
Aluminum monochloride |
rAlCl |
2.130 |
2.210 |
0.080 |
| NaLi |
lithium sodium |
rLiNa |
2.889 |
2.968 |
0.079 |
| NaBr |
Sodium Bromide |
rNaBr |
2.502 |
2.578 |
0.076 |
| Cl2 |
Chlorine diatomic |
rClCl |
1.988 |
2.062 |
0.074 |
| SO |
Sulfur monoxide |
rSO |
1.481 |
1.555 |
0.074 |
| S2 |
Sulfur diatomic |
rSS |
1.889 |
1.963 |
0.073 |
| PF |
phosphorus monofluoride |
rPF |
1.593 |
1.666 |
0.073 |
| AlN |
Aluminum nitride |
rNAl |
1.786 |
1.859 |
0.073 |
| PF+ |
phosphorus monofluoride cation |
rFP |
1.500 |
1.573 |
0.072 |
| B2 |
Boron diatomic |
rBB |
1.590 |
1.662 |
0.072 |
| LiBr |
Lithium Bromide |
rLiBr |
2.170 |
2.242 |
0.072 |
| SCl |
sulfur monochloride |
rSCl |
1.975 |
2.046 |
0.071 |
| PCl |
phosphorus chloride |
rPCl |
2.018 |
2.087 |
0.069 |
| Cl2+ |
chlorine diatomic cation |
rClCl |
1.892 |
1.960 |
0.069 |
| Br2 |
Bromine diatomic |
rBrBr |
2.281 |
2.349 |
0.068 |
| SiF |
silicon monofluoride |
rSiF |
1.604 |
1.672 |
0.068 |
| BrCl |
Bromine monochloride |
rClBr |
2.136 |
2.204 |
0.068 |
| PF |
phosphorus monofluoride |
rPF |
1.593 |
1.660 |
0.067 |
| LiCl |
lithium chloride |
rLiCl |
2.021 |
2.087 |
0.067 |
| NaCl |
Sodium Chloride |
rNaCl |
2.361 |
2.427 |
0.067 |
| SiF2 |
Silicon difluoride |
rFSi |
1.590 |
1.656 |
0.066 |
| Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.767 |
0.066 |
| SF2 |
sulfur difluoride |
rSF |
1.587 |
1.653 |
0.065 |
| SO2 |
Sulfur dioxide |
rSO |
1.432 |
1.497 |
0.065 |
| H2S2 |
HSSH |
rSS |
2.056 |
2.121 |
0.065 |
| Se2 |
Selenium diatomic |
rSeSe |
2.166 |
2.230 |
0.064 |
| NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.674 |
0.063 |
| SF |
Monosulfur monofluoride |
rSF |
1.599 |
1.663 |
0.063 |
| PO- |
phosphorus monoxide anion |
rOP |
1.540 |
1.602 |
0.062 |
| NaF |
sodium fluoride |
rNaF |
1.926 |
1.986 |
0.060 |
| MgS |
magnesium sulfide |
rMgS |
2.143 |
2.203 |
0.060 |
| MgCl |
magnesium monochloride |
rMgCl |
2.199 |
2.258 |
0.059 |
| SiO+ |
silicon monoxide cation |
rOSi |
1.519 |
1.578 |
0.059 |
| SO |
Sulfur monoxide |
rSO |
1.481 |
1.540 |
0.058 |
| CO |
Carbon monoxide |
rCO |
1.206 |
1.147 |
-0.058 |
| CO |
Carbon monoxide |
rCO |
1.206 |
1.147 |
-0.058 |
| SeO |
Selenium monoxide |
rSeO |
1.639 |
1.697 |
0.058 |
| ClF |
Chlorine monofluoride |
rFCl |
1.628 |
1.685 |
0.057 |
| S2 |
Sulfur diatomic |
rSS |
1.889 |
1.945 |
0.056 |
| HCO |
Formyl radical |
rCH |
1.080 |
1.135 |
0.055 |
| Li2 |
Lithium diatomic |
rLiLi |
2.673 |
2.727 |
0.054 |
| SO+ |
sulfur monoxide cation |
rOS |
1.424 |
1.478 |
0.054 |
| BeF |
Beryllium monofluoride |
rBeF |
1.361 |
1.413 |
0.052 |
| BrO |
Bromine monoxide |
rOBr |
1.718 |
1.770 |
0.052 |
| S2+ |
sulfur dimer cation |
rSS |
1.825 |
1.877 |
0.052 |
| SO2F2 |
Sulfuryl fluoride |
rOS |
1.405 |
1.457 |
0.052 |
| PCl |
phosphorus chloride |
rPCl |
2.018 |
2.069 |
0.052 |
| SiS |
silicon monosulfide |
rSiS |
1.929 |
1.980 |
0.050 |
58 molecules.
