[molpro-user] How to input singlet Pi state ?

[Yang Chuanlu]

Dear Molpro users:
  I want calculate a singlet Pi state of a diatomic molecule, however, the 
calculation failed when I use “WF” to specify the state. Any ideas would 
be appreciated. Thanks in advance. 

  There is a demo of my input

Geometry={angstrom;
C
O,C,r
}
basis=avtz
r=1.5
hf
wf,14,2,0

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