| Species |
Name |
Bond type |
Bond Length (Å) |
| Experimental |
Calculated |
Difference |
| Ne2 |
Neon dimer |
rNeNe |
3.100 |
2.746 |
-0.354 |
| Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
3.048 |
0.347 |
| Na2+ |
sodium dimer cation |
rNaNa |
3.540 |
3.722 |
0.182 |
| ClF+ |
clorine monofluoride cation |
rFCl |
1.448 |
1.603 |
0.154 |
| Si2 |
Silicon diatomic |
rSiSi |
2.246 |
2.131 |
-0.115 |
| C2 |
Carbon diatomic |
rCC |
1.243 |
1.341 |
0.099 |
| SOCl2 |
thionyl chloride |
rSCl |
2.076 |
2.158 |
0.082 |
| BrO |
Bromine monoxide |
rOBr |
1.718 |
1.798 |
0.080 |
| NaLi |
lithium sodium |
rLiNa |
2.889 |
2.968 |
0.079 |
| SO2F2 |
Sulfuryl fluoride |
rFS |
1.530 |
1.607 |
0.077 |
| SO |
Sulfur monoxide |
rSO |
1.481 |
1.554 |
0.073 |
| B2 |
Boron diatomic |
rBB |
1.590 |
1.662 |
0.072 |
| S2 |
Sulfur diatomic |
rSS |
1.889 |
1.961 |
0.071 |
| PF+ |
phosphorus monofluoride cation |
rFP |
1.500 |
1.572 |
0.071 |
| NCl |
nitrogen monochloride |
rNCl |
1.611 |
1.681 |
0.070 |
| SiF2 |
Silicon difluoride |
rFSi |
1.590 |
1.657 |
0.067 |
| PO- |
phosphorus monoxide anion |
rOP |
1.540 |
1.605 |
0.065 |
| SeO |
Selenium monoxide |
rSeO |
1.639 |
1.703 |
0.064 |
| AlN |
Aluminum nitride |
rNAl |
1.786 |
1.848 |
0.062 |
| Cl2+ |
chlorine diatomic cation |
rClCl |
1.892 |
1.953 |
0.061 |
| Se2 |
Selenium diatomic |
rSeSe |
2.166 |
2.227 |
0.061 |
| PF |
phosphorus monofluoride |
rPF |
1.593 |
1.653 |
0.060 |
| SiO+ |
silicon monoxide cation |
rOSi |
1.519 |
1.578 |
0.059 |
| SO2 |
Sulfur dioxide |
rSO |
1.432 |
1.490 |
0.057 |
| Li2O |
dilithium oxide |
rLiO |
1.606 |
1.659 |
0.053 |
| AlCl |
Aluminum monochloride |
rAlCl |
2.130 |
2.183 |
0.053 |
| Si2 |
Silicon diatomic |
rSiSi |
2.246 |
2.297 |
0.051 |
27 molecules.
