Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
C4H10O |
Methyl propyl ether |
rCC |
1.530 |
1.106 |
-0.424 |
C4H10O |
Methyl propyl ether |
rCH |
1.099 |
1.429 |
0.330 |
BeO |
beryllium oxide |
rBeO |
1.331 |
1.447 |
0.116 |
FNO2 |
Nitryl fluoride |
rNF |
1.467 |
1.578 |
0.111 |
ScO |
Scandium monoxide |
rOSc |
1.668 |
1.783 |
0.115 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.275 |
-0.175 |
Ar2 |
Argon diatomic |
rArAr |
3.758 |
3.988 |
0.230 |
Ar2+ |
Argon diatomic cation |
rArAr |
2.320 |
2.478 |
0.158 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.040 |
2.319 |
0.279 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.240 |
2.119 |
-0.121 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.643 |
0.183 |
FSN |
Thiazyl fluoride |
rFS |
1.643 |
1.797 |
0.154 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.716 |
0.561 |
GeO |
Germanium monoxide |
rOGe |
1.625 |
1.734 |
0.109 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.262 |
-0.138 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.113 |
-0.107 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
3.197 |
0.118 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
4.273 |
0.382 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.603 |
1.747 |
0.144 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.713 |
1.827 |
0.114 |
20 molecules.