[molpro-user] request for knowing the symmetry number to be given for a radical

ashutosh gupta ashutosh_gupta_2001 at yahoo.com
Thu Jun 22 03:36:23 BST 2006

Dear sir,
i am trying to find out the single point energy of
interaction of a methyl radical with singlet and
triplet oxygen atom with the aid of ccsdt/aug-cc-pvtz.

i am unable to assign symmetry no. in both cases (in
the wavefunction).

can anyone help me in this regard. 

pl let me know the symmetry no. to be assigned for the
above system.

thanking you.
ashutosh gupta
iit kanpur india.

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