Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
C4H10O |
Methyl propyl ether |
rCC |
1.530 |
1.098 |
-0.432 |
C4H10O |
Methyl propyl ether |
rCH |
1.099 |
1.413 |
0.314 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
2.118 |
0.296 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.228 |
-0.222 |
ClOOCl |
Dichlorine dioxide |
rOCl |
1.704 |
1.815 |
0.110 |
Ar2 |
Argon diatomic |
rArAr |
3.758 |
4.375 |
0.617 |
Ar2+ |
Argon diatomic cation |
rArAr |
2.320 |
2.494 |
0.174 |
KrF2 |
Krypton difluoride |
rFKr |
1.875 |
1.980 |
0.105 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.040 |
2.258 |
0.218 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.240 |
2.073 |
-0.167 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.605 |
0.145 |
FSN |
Thiazyl fluoride |
rFS |
1.643 |
1.745 |
0.102 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.770 |
0.615 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.209 |
-0.191 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.072 |
-0.148 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
4.165 |
0.274 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.603 |
1.747 |
0.144 |
17 molecules.