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IV.D.3.a. (XVIII.A.3.) |
| Point group | |||
|---|---|---|---|
| Species | Name | Experimental | Calculated |
| HD | Deuterium hydride | C∞v | D∞h |
| BH3- | boron trihydride anion | C3v | D3h |
| HDO | Water-d1 | Cs | C2v |
| C2H4+ | Ethylene cation | D2h | D2 |
| CH3O | Methoxy radical | C3v | C1 |
| NaOH | sodium hydroxide | C∞v | Cs |
| MgOH | magnesium hydroxide | C∞v | Cs |
| CH3S | thiomethoxy | C3v | C1 |
| BO2 | Boron dioxide | D∞h | C∞v |
| C4H6 | 1-Methylcyclopropene | Cs | C1 |
| NH2CONH2 | Urea | C2v | C2 |
| CH3COCH3 | Acetone | C2v | C2 |
| CF3+ | Trifluoromethyl cation | D3h | C3v |
| SO3- | Sulfur trioxide anion | D3h | C3v |
| C3H5Cl | 1-Propene, 3-chloro- | Cs | C1 |
| C5H8 | 1,3-Pentadiene, (Z)- | Cs | C1 |
| C5H8 | 1,2-Pentadiene | Cs | C1 |
| C5H10 | Cyclopentane | D5h | C1 |
| C5H10 | 1-Butene, 2-methyl- | Cs | C1 |
| C(NH2)H2CH2CH2CH3 | 1-Butanamine | C1 | Cs |
| CH2CHCONH2 | Acrylamide | Cs | C1 |
| CH3OCH2CN | Methoxyacetonitrile | Cs | C1 |
| C4H6O | Cyclobutanone | C2v | Cs |
| C4H6O | Furan, 2,3-dihydro- | Cs | C1 |
| C2H6N2O | Urea, methyl- | Cs | C1 |
| CH3COCH2CH3 | 2-Butanone | Cs | C1 |
| C4H10O | Propane, 2-methoxy- | Cs | C1 |
| C4H8S | Thiophene, tetrahydro- | C2 | C1 |
| C6H8 | trans-2,3,4-Hexatriene | C2h | Cs |
| C6H10 | 3-Hexyne | C2v | C2 |
| C6H12 | 1-Hexene | C1 | Cs |
| C6H12 | 2-Butene, 2,3-dimethyl- | D2h | D2 |
| C6H14 | Butane, 2,3-dimethyl- | C2 | C2h |
| C6H14 | Butane, 2,2-dimethyl- | C1 | Cs |
| C2H4N4 | 1H-Tetrazole, 1-methyl- | Cs | C1 |
| C4H6N2 | 1H-Imidazole, 2-methyl- | Cs | C1 |
| C2H4N2O2 | Oxalamide | C1 | C2h |
| C2H5NO3 | Nitric acid, ethyl ester | C1 | Cs |
| C5H8O | Methyl cyclopropyl ketone | Cs | C1 |
| B2F4 | Diboron tetrafluoride | D2h | D2 |
| C3H6S3 | Carbonotrithioic acid, dimethyl ester | C1 | Cs |
| C4H8Cl2 | Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- | C2 | C1 |
| C6H5CHCH2 | Styrene | Cs | C1 |
| C6H5CH2CH3 | Ethylbenzene | C1 | Cs |
| C6H12O2 | Hexanoic acid | Cs | C1 |