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

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

  Point group
Species Name Experimental Calculated
ONNO NO dimer C2h C2v
NH2CONH2 Urea Cs C2
CH2ClCHO chloroacetaldehyde Cs C1
SeO3 selenium trioxide C3v D3h
CHCl2CHO dichloroacetaldehyde C1 Cs
CBr2F2 Methane, dibromodifluoro- C2v Cs
C4F4 tetrafluorcyclobutadiene C2h D4h