Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
C4H10O |
Methyl propyl ether |
rCC |
1.530 |
1.093 |
-0.437 |
C4H10O |
Methyl propyl ether |
rCH |
1.099 |
1.414 |
0.315 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
2.222 |
0.399 |
N2O3 |
Dinitrogen trioxide |
rNN |
1.864 |
1.968 |
0.104 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.220 |
-0.230 |
Ne2 |
Neon diatomic |
rNeNe |
3.100 |
2.976 |
-0.124 |
Ar2 |
Argon diatomic |
rArAr |
3.758 |
4.062 |
0.304 |
Ar2+ |
Argon diatomic cation |
rArAr |
2.320 |
2.424 |
0.104 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.040 |
2.281 |
0.241 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.240 |
2.090 |
-0.150 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.078 |
0.734 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.568 |
0.108 |
FOO |
Dioxygen monofluoride radical |
rFO |
1.649 |
2.683 |
1.034 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.628 |
0.473 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.222 |
-0.178 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.085 |
-0.135 |
16 molecules.