|
Point group |
Species |
Name |
Experimental |
Calculated |
HD |
Deuterium hydride |
C∞v |
D∞h |
HDO |
Water-d1 |
Cs |
C2v |
C2H4+ |
Ethylene cation |
D2h |
D2 |
NH3NH3 |
Ammonia Dimer |
C2h |
Cs |
CH3O |
Methoxy radical |
C1 |
Cs |
H2F2 |
Hydrogen fluoride dimer |
Cs |
C1 |
MgOH |
magnesium hydroxide |
C∞v |
Cs |
MgOH |
magnesium hydroxide |
C∞v |
Cs |
CH3S |
thiomethoxy |
C3v |
Cs |
C3 |
carbon trimer |
C2v |
D∞h |
C3H7 |
n-Propyl radical |
C1 |
Cs |
C3H7 |
n-Propyl radical |
C1 |
Cs |
HCCO |
ketenyl radical |
C∞v |
Cs |
HCNO |
fulminic acid |
C∞v |
Cs |
CH3CHO+ |
acetaldehyde cation |
Cs |
C1 |
CaF2 |
Calcium difluoride |
C2v |
D∞h |
Zn(CH3)2 |
dimethyl zinc |
D3h |
D3 |
C2H3CCH |
1-Buten-3-yne |
Cs |
C1 |
H2OHCOOH |
Water formic acid dimer 1 |
C1 |
Cs |
HCONHCH3 |
N-methylformamide |
Cs |
C1 |
CF3+ |
Trifluoromethyl cation |
D3h |
C3v |
CH3COF |
Acetyl fluoride |
Cs |
C1 |
SO3- |
Sulfur trioxide anion |
D3h |
C3v |
C3H5Cl |
1-Propene, 3-chloro- |
Cs |
C1 |
CH2ClCH2OH2+ |
2-chloroethanol, protonated |
C1 |
Cs |
CHCl2CHO |
dichloroacetaldehyde |
C1 |
Cs |
C6H10 |
3-Hexyne |
C2v |
C2 |
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 |