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

Species with point groups that differ from experiment at CCSD(T)/3-21G

  Point group
Species Name Experimental Calculated
NH3NH3 Ammonia Dimer C2h Cs
H2OH2CO water formaldehyde dimer Cs C1
CaF2 Calcium difluoride C2v D∞h