|
Point group |
Species |
Name |
Experimental |
Calculated |
HD |
Deuterium hydride |
C∞v |
D∞h |
HDO |
Water-d1 |
Cs |
C2v |
BeOH |
beryllium monohydroxide |
Cs |
C∞v |
BeOH |
beryllium monohydroxide |
Cs |
C∞v |
H2OH2O |
water dimer |
Cs |
C1 |
H2OH2O |
water dimer |
Cs |
C1 |
H5O2+ |
Dihydroxonium ion |
C2 |
C1 |
CH3SiH3 |
methyl silane |
C3v |
C3 |
CH3S |
thiomethoxy |
C3v |
C1 |
C3 |
carbon trimer |
D∞h |
C2v |
BO2 |
Boron dioxide |
D∞h |
C∞v |
BO2 |
Boron dioxide |
D∞h |
C∞v |
CaF2 |
Calcium difluoride |
C2v |
D∞h |
Zn(CH3)2 |
dimethyl zinc |
D3d |
C2v |
C4 |
Carbon tetramer |
D∞h |
C2h |
C4 |
Carbon tetramer |
D∞h |
C2h |
C(CH3)3 |
Tert-butyl radical |
C3v |
Cs |
NO3 |
Nitrogen trioxide |
D3h |
C2v |
CF3+ |
Trifluoromethyl cation |
D3h |
C3v |
SO3- |
Sulfur trioxide anion |
D3h |
C3v |
CH2ClCH2OH2+ |
2-chloroethanol, protonated |
C1 |
Cs |
C4H6O |
Cyclobutanone |
C2v |
Cs |
C2H6N2O |
Urea, methyl- |
Cs |
C1 |
CH3CCl(CH3)CH3 |
Propane, 2-chloro-2-methyl- |
C3v |
Cs |
C6H10 |
2-Hexyne |
Cs |
C1 |
C6H10 |
3-Hexyne |
C2v |
C2 |
C2H4N4 |
1H-Tetrazole, 1-methyl- |
Cs |
C1 |
C5H9N |
Propanenitrile, 2,2-dimethyl- |
C3v |
Cs |
C2O4-- |
oxalate anion |
D2d |
D2h |
C2H5NO3 |
Nitric acid, ethyl ester |
C1 |
Cs |
C5H12S |
Propane, 2-(ethylthio)- |
Cs |
C1 |
N2O5 |
Dinitrogen pentoxide |
Cs |
C2 |
C5H5NO |
3(2H)-Pyridinone |
Cs |
C1 |
C5H5NO |
4(3H)-Pryidinone |
Cs |
C1 |
C5H5NO |
4(1H)-Pryidinone |
C2v |
Cs |