[molpro-user] point group reg

[Rajagopala Reddy seelam]

Dear Molpro Users,

   I am doing some calculations of MRCI on a boron cluster B5.
   The following geometry has a point group 'c2' in GAUSSIAN 03.
   But it showing 'c1' geometry in molpro 2002.6 package.

    As I need this geometry should be in 'c2' geometry, how can i specify
    point group specifically?

The geometry is given below

  
  5      -0.000001       0.000000       0.687943
  5       0.028452       1.607539       0.520673
  5      -0.057426       0.796453      -0.864644
  5       0.057425      -0.796453      -0.864644
  5      -0.028452      -1.607539       0.520673

Thank you for advice
                                                                
Rajagopala Reddy.Seelam
 School of Chemistry,
University of Hyderabad.



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