|
Point group |
Species |
Name |
Experimental |
Calculated |
HD |
Deuterium hydride |
C∞v |
D∞h |
BH3+ |
boron trihydride cation |
D3h |
Cs |
CH4+ |
Methane cation |
Td |
Cs |
HDO |
Water-d1 |
Cs |
C2v |
AlH3+ |
aluminum trihydride cation |
D3h |
C2v |
AlH3+ |
aluminum trihydride cation |
C2v |
Cs |
C2H4+ |
Ethylene cation |
D2h |
D2 |
H2O2+ |
Hydrogen peroxide cation |
C2v |
C1 |
H2F2 |
Hydrogen fluoride dimer |
Cs |
C2h |
MgOH |
magnesium hydroxide |
C∞v |
Cs |
CH3SiH3 |
methyl silane |
C3v |
C3 |
CH3S |
thiomethoxy |
C3v |
C1 |
SiH3Cl |
chlorosilane |
C3v |
C1 |
GeH3CH3 |
methyl germane |
C3v |
C3 |
CH3CN- |
acetonitrile anion |
C3v |
C1 |
CH3CN+ |
Acetonitrile cation |
C3v |
C1 |
Li2O |
dilithium oxide |
D∞h |
Cs |
BO2 |
Boron dioxide |
D∞h |
C∞v |
HCNO |
fulminic acid |
Cs |
C1 |
OClO- |
Chlorine dioxide anion |
C2v |
Cs |
CaF2 |
Calcium difluoride |
C2v |
D∞h |
C4H4 |
cyclobutadiene |
D4h |
D2h |
NO3 |
Nitrogen trioxide |
D3h |
C2v |
HCONHCH3 |
N-methylformamide |
Cs |
C1 |
CF3- |
Trifluoromethyl anion |
C3v |
C1 |
NF3- |
Nitrogen trifluoride anion |
Cs |
C1 |
SO3- |
Sulfur trioxide anion |
D3h |
C3v |
SiCl3 |
trichlorosilyl radical |
C3v |
C1 |
C3H5Cl |
1-Propene, 3-chloro- |
Cs |
C1 |
CH2ClCH2OH2+ |
2-chloroethanol, protonated |
C1 |
Cs |
C(NH2)H2CH2CH2CH3 |
1-Butanamine |
C1 |
Cs |
C2H6N2O |
Urea, methyl- |
Cs |
C1 |
CHCl2CHO |
dichloroacetaldehyde |
C1 |
Cs |
CBrCl3 |
Methane, bromotrichloro- |
C3v |
C1 |
C6H10 |
3-Hexyne |
C2v |
C2 |
C6H12 |
Cyclohexane |
D3d |
S6 |
C6H12 |
(E)-2-Hexene |
C1 |
Cs |
C6H14 |
Butane, 2,2-dimethyl- |
C1 |
Cs |
C3H3N3 |
1,3,5-Triazine |
D3h |
C2v |
C2O4-- |
oxalate anion |
D2d |
D2h |
C2H5NO3 |
Nitric acid, ethyl ester |
C1 |
Cs |
HCONH2CN2H4 |
formamide aminomethanimine dimer |
Cs |
C1 |
PF5 |
Phosphorus pentafluoride |
D3h |
C2v |
C5H5NO |
3(2H)-Pyridinone |
Cs |
C1 |
C5H5NO |
4(1H)-Pryidinone |
C2v |
Cs |
C6H5CHCH2 |
Styrene |
Cs |
C1 |
(CH3)3CC(CH3)3 |
tetramethylbutane |
D3d |
D3 |
C2Cl6 |
hexachloroethane |
D3d |
Ci |