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Species with point groups that differ from experiment at MP2=FULL/aug-cc-pVQZ

  Point group
Species Name Experimental Calculated
BH3- boron trihydride anion C3v D3h
HCN- Hydrogen cyanide anion Cs C∞v
NH3NH3 Ammonia Dimer Cs C2h
SO3- Sulfur trioxide anion D3h C3v