Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
C3H3NO |
Isoxazole |
rCH |
1.075 |
1.420 |
0.345 |
C2H4O3 |
trioxolane124 |
rCN |
1.303 |
2.180 |
0.877 |
C4H10O |
Methyl propyl ether |
rCC |
1.530 |
1.095 |
-0.435 |
C4H10O |
Methyl propyl ether |
rCH |
1.099 |
1.403 |
0.304 |
ZnS |
Zinc sulfide |
rSZn |
2.046 |
2.148 |
0.101 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.085 |
4.212 |
3.127 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
3.416 |
2.329 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.476 |
2.258 |
0.782 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.087 |
1.829 |
0.742 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.776 |
0.678 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.098 |
1.757 |
0.659 |
C4H6 |
1-Methylcyclopropene |
rCH |
1.070 |
1.507 |
0.437 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.515 |
1.094 |
-0.421 |
C4H6 |
1-Methylcyclopropene |
rCC |
1.300 |
1.505 |
0.205 |
CH3SO2NH2 |
methanesulfonamide |
rCN |
1.207 |
1.682 |
0.475 |
He2+ |
helium diatomic cation |
rHeHe |
1.081 |
1.191 |
0.110 |
LiK |
Lithium Potassium |
rLiK |
3.270 |
3.393 |
0.123 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.237 |
-0.213 |
ClOOCl |
Dichlorine dioxide |
rOO |
1.426 |
1.291 |
-0.135 |
ClOOCl |
Dichlorine dioxide |
rOCl |
1.704 |
1.831 |
0.127 |
Ar2 |
Argon diatomic |
rArAr |
3.758 |
5.971 |
2.213 |
Ar2+ |
Argon diatomic cation |
rArAr |
2.320 |
2.595 |
0.275 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.040 |
2.275 |
0.235 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.240 |
2.080 |
-0.160 |
HSSSH |
trisulfane |
rHS |
1.344 |
2.087 |
0.744 |
FOO |
Dioxygen monofluoride radical |
rFO |
1.649 |
1.750 |
0.101 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.214 |
-0.186 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.076 |
-0.144 |
K2 |
Potassium diatomic |
rKK |
3.905 |
4.022 |
0.117 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
3.608 |
-0.282 |
Al2 |
Aluminum diatomic |
rAlAl |
2.701 |
2.484 |
-0.217 |
31 molecules.