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Species with point groups that differ from experiment at MP2/cc-pV(T+d)Z

  Point group
Species Name Experimental Calculated
MgOH magnesium hydroxide C∞v Cs
CH3S thiomethoxy C3v Cs
BO2 Boron dioxide D∞h C∞v
HCNO fulminic acid C∞v Cs
CHONH2 formamide Cs C1
ONNO NO dimer C2h C2v
CHOCH2OH hydroxy acetaldehyde Cs C1
CH3COCH3 Acetone C2v C2
C4H6O Cyclobutanone C2v Cs
C2H4N4 1H-Tetrazole, 1-methyl- Cs C1
C6H5CHCH2 Styrene Cs C1