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 |
1.415 |
0.316 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
2.118 |
0.296 |
ZnS |
Zinc sulfide |
rSZn |
2.046 |
2.161 |
0.114 |
N2O3 |
Dinitrogen trioxide |
rNN |
1.864 |
2.057 |
0.193 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.251 |
-0.199 |
Ne2 |
Neon diatomic |
rNeNe |
3.100 |
2.820 |
-0.280 |
ClOOCl |
Dichlorine dioxide |
rOCl |
1.704 |
1.818 |
0.114 |
Ar2 |
Argon diatomic |
rArAr |
3.758 |
4.391 |
0.633 |
Ar2+ |
Argon diatomic cation |
rArAr |
2.320 |
2.493 |
0.173 |
BrNO |
Nitrosyl bromide |
rNBr |
2.140 |
2.257 |
0.117 |
KrF2 |
Krypton difluoride |
rFKr |
1.875 |
1.979 |
0.104 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.040 |
2.261 |
0.221 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.240 |
2.075 |
-0.165 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.095 |
0.751 |
Be2 |
Beryllium diatomic |
rBeBe |
2.460 |
2.623 |
0.163 |
FSN |
Thiazyl fluoride |
rFS |
1.643 |
1.745 |
0.102 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.774 |
0.619 |
GeO |
Germanium monoxide |
rOGe |
1.625 |
1.738 |
0.113 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.210 |
-0.190 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.073 |
-0.147 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
4.229 |
0.339 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.603 |
1.752 |
0.149 |
23 molecules.