Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
C3H3NO |
Isoxazole |
rCH |
1.075 |
1.437 |
0.362 |
C4H10O |
Methyl propyl ether |
rCC |
1.530 |
1.107 |
-0.423 |
C4H10O |
Methyl propyl ether |
rCH |
1.099 |
1.413 |
0.314 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
2.032 |
0.210 |
CH3SO2NH2 |
methanesulfonamide |
rCN |
1.207 |
1.712 |
0.505 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.272 |
-0.178 |
Ne2 |
Neon diatomic |
rNeNe |
3.100 |
2.746 |
-0.354 |
ClOOCl |
Dichlorine dioxide |
rOCl |
1.704 |
1.834 |
0.130 |
Ar2 |
Argon diatomic |
rArAr |
3.758 |
4.132 |
0.374 |
Ar2+ |
Argon diatomic cation |
rArAr |
2.320 |
2.505 |
0.185 |
KrF2 |
Krypton difluoride |
rFKr |
1.875 |
2.005 |
0.130 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.040 |
2.309 |
0.269 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.240 |
2.107 |
-0.133 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.107 |
0.764 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.611 |
0.151 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.261 |
-0.139 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
3.212 |
0.133 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
4.885 |
0.995 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.603 |
1.713 |
0.110 |
19 molecules.