|
Point group |
Species |
Name |
Experimental |
Calculated |
HD |
Deuterium hydride |
C∞v |
D∞h |
HDO |
Water-d1 |
Cs |
C2v |
C2H |
Ethynyl radical |
C∞v |
Cs |
C2H |
Ethynyl radical |
C∞v |
Cs |
H2OH2O |
water dimer |
Cs |
Ci |
NaOH |
sodium hydroxide |
C∞v |
Cs |
MgOH |
magnesium hydroxide |
C∞v |
Cs |
MgOH |
magnesium hydroxide |
C∞v |
Cs |
CH3SiH3 |
methyl silane |
C3v |
C3 |
CH3S |
thiomethoxy |
C3v |
C1 |
CH3S |
thiomethoxy |
C3v |
C1 |
C3H7 |
n-Propyl radical |
C1 |
Cs |
C3H7 |
n-Propyl radical |
C1 |
Cs |
BO2 |
Boron dioxide |
D∞h |
C∞v |
BO2 |
Boron dioxide |
D∞h |
C∞v |
CH3OHH2O |
methanol water dimer |
Cs |
C1 |
C4H6 |
1-Methylcyclopropene |
C1 |
Cs |
C(CH3)3 |
Tert-butyl radical |
C3v |
Cs |
NO3 |
Nitrogen trioxide |
D3h |
C2v |
HCONHCH3 |
N-methylformamide |
Cs |
C1 |
CH3COCH3 |
Acetone |
C2v |
C2 |
C2F2 |
difluoroacetylene |
D∞h |
C2h |
CH2ClCH2OH2+ |
2-chloroethanol, protonated |
C1 |
Cs |
C(NH2)H2CH2CH2CH3 |
1-Butanamine |
C1 |
Cs |
C4H6O |
Cyclobutanone |
C2v |
Cs |
C2H6N2O |
Urea, methyl- |
Cs |
C1 |
C2H6N2O |
Urea, methyl- |
Cs |
C1 |
CH3COOCH3 |
methyl acetate |
Cs |
C1 |
CH3CCl(CH3)CH3 |
Propane, 2-chloro-2-methyl- |
C3v |
Cs |
C6H6 |
2,4-Hexadiyne |
D3h |
D3d |
C6H10 |
3-Hexyne |
C2v |
C2 |
C6H14 |
Butane, 2,2-dimethyl- |
C1 |
Cs |
C2H4N4 |
1H-Tetrazole, 1-methyl- |
Cs |
C1 |
C5H9N |
Propanenitrile, 2,2-dimethyl- |
C3v |
Cs |
C2H5NO3 |
Nitric acid, ethyl ester |
C1 |
Cs |
HCONH2CN2H4 |
formamide aminomethanimine dimer |
Cs |
C1 |
C8H14 |
Bicyclo[2.2.2]octane |
D3h |
D3 |
CH3COC6H5 |
acetophenone |
C1 |
Cs |