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Species with point groups that differ from experiment at wB97X-D/6-31G(2df,p)

  Point group
Species Name Experimental Calculated
C3 carbon trimer C2v D∞h
C4H6 1-Methylcyclopropene C1 Cs
HCONHCH3 N-methylformamide Cs C1
CH3COCH3 Acetone C2v C2
CH2ClCH2OH2+ 2-chloroethanol, protonated C1 Cs
C6H10 3-Hexyne C2v C2