return to home page

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

Species with point groups that differ from experiment at CCSD(T)/6-31+G**

  Point group
Species Name Experimental Calculated
HD Deuterium hydride C∞v D∞h
NH3NH3 Ammonia Dimer C2h Cs
NH3NH3 Ammonia Dimer C2h Cs
C3 carbon trimer D∞h C2v
H2OH2CO water formaldehyde dimer Cs C1
CaF2 Calcium difluoride C2v D∞h
ONNO NO dimer C2h C2v