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List of which barriers to internal rotation calculations are completed at HF /aug-cc-pVTZ

Species Name Rotor type
HOCH hydroxycarbene OH
H2O2 Hydrogen peroxide OH
H2O2+ Hydrogen peroxide cation OH
CH3OH+ Methyl alcohol cation OH
CuCN Copper cyanide CuCN
HNCNH diiminomethane NH
O3H+ protonated ozone OH
HSSSH trisulfane SH
HOClO Chlorous acid OClOH
CHOCH2OH hydroxy acetaldehyde CHO
ClOOCl Dichlorine dioxide OCl
SF3 Sulfur trifluoride SF2
C2H4F2 1,2-difluoroethane CH2F
CF3CHF2 pentafluoroethane CHF2