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

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

  Point group
Species Name Experimental Calculated
HD Deuterium hydride C∞v D∞h
BH3- boron trihydride anion C3v D3h
C2H4+ Ethylene cation D2h D2
MgOH magnesium hydroxide C∞v Cs
HCNO fulminic acid C∞v Cs
ONNO NO dimer C2h C2v
CF3+ Trifluoromethyl cation D3h C3v
SO3- Sulfur trioxide anion D3h C3v
C3O2 Carbon suboxide D∞h C2v