III.F.1. (I.A.4.) |
List of which barriers to internal rotation calculations are completed at MP2=FULL /aug-cc-pVTZ
Species | Name | Rotor type |
---|---|---|
CuCN | Copper cyanide | CuCN |
O3H+ | protonated ozone | OH |
ClOOCl | Dichlorine dioxide | OCl |
FSSF | Difluorodisulfane | SF |
SF3 | Sulfur trifluoride | SF2 |
CH2ClCHO | chloroacetaldehyde | CHO |
CH2ClCH2Cl | Ethane, 1,2-dichloro- | CH2Cl |
CHF2CHF2 | 1,1,2,2-tetrafluoroethane | CHF2 |