Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
C4H10O |
Methyl propyl ether |
rCC |
1.530 |
1.108 |
-0.422 |
C4H10O |
Methyl propyl ether |
rCH |
1.099 |
1.414 |
0.315 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
1.968 |
0.146 |
CH3SO2NH2 |
methanesulfonamide |
rCN |
1.207 |
1.715 |
0.508 |
H2SO4 |
Sulfuric acid |
rOH |
0.970 |
2.837 |
1.867 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.276 |
-0.174 |
Ne2 |
Neon diatomic |
rNeNe |
3.100 |
2.746 |
-0.354 |
ClOOCl |
Dichlorine dioxide |
rOCl |
1.704 |
1.837 |
0.133 |
Ar2 |
Argon diatomic |
rArAr |
3.758 |
4.147 |
0.389 |
Ar2+ |
Argon diatomic cation |
rArAr |
2.320 |
2.506 |
0.186 |
KrF2 |
Krypton difluoride |
rFKr |
1.875 |
2.013 |
0.138 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.040 |
2.314 |
0.274 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.240 |
2.110 |
-0.130 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.108 |
0.765 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.635 |
0.175 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.647 |
0.492 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.265 |
-0.135 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
3.205 |
0.126 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
4.945 |
1.055 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.603 |
1.715 |
0.112 |
20 molecules.