| Species |
Name |
Bond type |
Bond Length (Å) |
| Experimental |
Calculated |
Difference |
| CH3SOCH3 |
Dimethyl sulfoxide |
rCH |
1.097 |
3.652 |
2.555 |
| C2H4O3 |
trioxolane124 |
rCN |
1.303 |
2.174 |
0.871 |
| CH3SO2NH2 |
methanesulfonamide |
rCN |
1.207 |
1.673 |
0.467 |
| FO |
Oxygen monofluoride |
rFO |
1.354 |
1.498 |
0.144 |
| GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.209 |
-0.241 |
| Ne2 |
Neon diatomic |
rNeNe |
3.100 |
2.818 |
-0.282 |
| Ar2 |
Argon diatomic |
rArAr |
3.758 |
4.337 |
0.579 |
| Ar2+ |
Argon diatomic cation |
rArAr |
2.320 |
2.485 |
0.165 |
| Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.040 |
2.252 |
0.212 |
| Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.240 |
2.068 |
-0.172 |
| HSSSH |
trisulfane |
rHS |
1.344 |
2.077 |
0.733 |
| Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.917 |
0.457 |
| AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.192 |
-0.208 |
| AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.047 |
-0.173 |
| Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
4.317 |
0.427 |
| ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.603 |
1.707 |
0.104 |
16 molecules.