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

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

  Point group
Species Name Experimental Calculated
BH3- boron trihydride anion C3v D3h
C2H4+ Ethylene cation D2h D2
HCN- Hydrogen cyanide anion Cs C∞v
NH3NH3 Ammonia Dimer C2h Cs
NH3NH3 Ammonia Dimer C2h Cs
ONNO NO dimer C2h C2v
NH2CONH2 Urea Cs C2
CBr2F2 Methane, dibromodifluoro- C2v Cs