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IV.D.3.a. (XVIII.A.3.)

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

  Point group
Species Name Experimental Calculated
BH3- boron trihydride anion C3v D3h
C2H4+ Ethylene cation D2h D2
HCN- Hydrogen cyanide anion Cs C∞v
ONNO NO dimer C2h C2v
CF3+ Trifluoromethyl cation D3h C3v
SO3- Sulfur trioxide anion D3h C3v