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

Species with point groups that differ from experiment at CISD/6-31G**

  Point group
Species Name Experimental Calculated
N2H4 Hydrazine C2 C1
CH3O Methoxy radical C3v C1
H2F2 Hydrogen fluoride dimer Cs C1
MgOH magnesium hydroxide C∞v Cs
CH3S thiomethoxy C3v C1
C3H7 Isopropyl radical Cs C1
CH3CH2SH ethanethiol Cs C1
C6H14 Butane, 2,3-dimethyl- C2 C2h
C2H5NO3 Nitric acid, ethyl ester C1 Cs