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

Species with point groups that differ from experiment at MP2FU/aug-cc-pVDZ

  Point group
Species Name Experimental Calculated
HD Deuterium hydride C∞v D∞h
HDO Water-d1 Cs C2v
C2H4+ Ethylene cation D2h D2
MgOH magnesium hydroxide C∞v Cs
C3 carbon trimer D∞h C2v
BO2 Boron dioxide D∞h C∞v
C4 Carbon tetramer D∞h C2h
ONNO NO dimer C2h C2v