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

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

  Point group
Species Name Experimental Calculated
MgOH magnesium hydroxide C∞v Cs
C3H5 Allyl radical C2v Cs
C3H7 n-Propyl radical C1 Cs