[molpro-user] Define special electronic states

张士扬 zhangshiyang04 at mails.tsinghua.edu.cn
Fri Sep 8 09:27:51 BST 2006

Dear All,
  Is it possible to define the symmetry group(not Ci card) of polyatomic moleculars whose symmetry are higer than C2v,C2h,D2h.....such as CH3Cl+? I want to define its special electronic states. How can I manage this goal?
  Thanks very much for your help.

                                        Zhang Shiyang

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