Species |
Name |
Bond type |
Bond Length (Å) |
Experimental |
Calculated |
Difference |
C4H10O |
Methyl propyl ether |
rCC |
1.530 |
1.094 |
-0.436 |
C4H10O |
Methyl propyl ether |
rCH |
1.099 |
1.418 |
0.319 |
BeO |
beryllium oxide |
rBeO |
1.331 |
1.440 |
0.109 |
CaO |
Calcium monoxide |
rOCa |
1.822 |
2.065 |
0.243 |
KOH |
Potassium hydroxide |
rOK |
2.212 |
2.379 |
0.168 |
KH |
Potassium hydride |
rKH |
2.243 |
2.379 |
0.137 |
CaBr2 |
Calcium dibromide |
rCaBr |
2.616 |
2.762 |
0.146 |
FNO2 |
Nitryl fluoride |
rNF |
1.467 |
1.570 |
0.103 |
ScO |
Scandium monoxide |
rOSc |
1.668 |
1.769 |
0.101 |
GaP |
Gallium monophosphide |
rPGa |
2.450 |
2.238 |
-0.212 |
Ar2 |
Argon diatomic |
rArAr |
3.758 |
4.293 |
0.535 |
Ar2+ |
Argon diatomic cation |
rArAr |
2.320 |
2.479 |
0.159 |
KrF2 |
Krypton difluoride |
rFKr |
1.875 |
1.984 |
0.109 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.040 |
2.277 |
0.237 |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
rAlCl |
2.240 |
2.089 |
-0.151 |
CaH |
Calcium monohydride |
rCaH |
2.003 |
2.165 |
0.163 |
FSN |
Thiazyl fluoride |
rFS |
1.643 |
1.764 |
0.121 |
S4 |
Sulfur tetramer |
rSS |
2.155 |
2.733 |
0.578 |
CaS |
Calcium sulfide |
rSCa |
2.318 |
2.608 |
0.290 |
AlP |
Aluminum monophosphide |
rAlP |
2.400 |
2.228 |
-0.172 |
AlP |
Aluminum monophosphide |
rAlP |
2.220 |
2.087 |
-0.133 |
Na2 |
Sodium diatomic |
rNaNa |
3.079 |
3.226 |
0.147 |
K2 |
Potassium diatomic |
rKK |
3.905 |
4.167 |
0.262 |
Mg2 |
Magnesium diatomic |
rMgMg |
3.891 |
5.763 |
1.873 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.603 |
1.744 |
0.141 |
ClOF3 |
Chlorine trifluoride oxide |
rFCl |
1.713 |
1.824 |
0.111 |
26 molecules.