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Species with point groups that differ from experiment at CCSD(T)/aug-cc-pVDZ

  Point group
Species Name Experimental Calculated
C2H4+ Ethylene cation D2h D2
HCN- Hydrogen cyanide anion Cs C∞v
ONNO NO dimer C2h C2v
HCONHCH3 N-methylformamide Cs C1
SO3- Sulfur trioxide anion D3h C3v
CH2ClCH2OH2+ 2-chloroethanol, protonated C1 Cs
C4F4 tetrafluorcyclobutadiene C2h D4h