III.F.1. (I.A.4.) |
List of which barriers to internal rotation calculations are completed at HF /cc-pVDZ
Species | Name | Rotor type |
---|---|---|
C2H5 | Ethyl radical | CH3 |
H2O2 | Hydrogen peroxide | OH |
H2S2 | Disulfane | SH |
CH2CHCH3 | Propene | CH3 |
HNO2 | Nitrous acid | OH |
CH3CHO | Acetaldehyde | CH3 |
CH3CH2Cl | Ethyl chloride | CH3 |
CH2ClCH2Cl | Ethane, 1,2-dichloro- | CH2Cl |
B2F4 | Diboron tetrafluoride | BF2 |